LISTE COMPLETE des PRODUCTIONS SCIENTIFIQUES 1976-2004
Contents
1. New Reverse Monte Carlo code for ab initio structure determination from powder diffraction data ESPOIR 0 9 and then ESPOIR 1 0 and now ESPOIR 2 0 allowing molecule location Personal research report for 1995 99 as MS Word 97 doc files zipped in french of course Birth of the SDPD Mailing List Authors versus number of Rietveld refined structures in ICSD and the sub populations working with neutrons conventional X ray and synchrotron radiation Authors versus number of structures in ICSD first 1000 or all This Web site mirrored in Australia 1998 The Rietveld Mailing List archives are partly available searchable by keywords Discuss about Structure Determination by Powder Diffractometry using the SDPD Forum In french Comment mettre en ligne une petite base de donn es Search among the Fluoride Lab s 600 publications New web site created in the USA Contribution to the First International Conference on Inorganic Materials Versailles Contribution to ECSOC 2 Preliminary report on the SDPD Round Robin at ECM 18 Prague Contribution to ECM 18 Prague Contribution to the 47th Annual Denver X ray Conference Colorado Springs Structure Determination by Powder Diffractometry Round Robin SDPDRR ARIT is available very old and obsolete Rietveld method software This site mirrored in England The Researcher s Breviary an automatic translation from an hilarious french document using Altavista No correction from the raw trans2. Short range order in the anion excess fluorite related Cag gLino 32F 232 solid solutions EXAFS study of the Ln environment J P LAVAL A ABAOUZ B FRIT and A LE BAIL J Solid State Chem 85 133 143 1990 55 A new structure type in mixed valence fluorinated compounds KsCr 4Cr 6F31 Y LALIGANT A LE BAIL M LEBLANC and G FEREY J Solid State Chem 85 151 158 1990 54 Structure determination of A NaAl F 2 A K Rb A LE BAIL Y GAO JL FOURQUET and C JACOBONI Mat res Bull 25 831 839 1990 53 Mossbauer study of a new crystalline fluoride NaPbFe F J M GRENECHE A LE BAIL M LEBLANC Hyperfine Interactions 54 545 550 1990 52 Reinvestigation of the structure of K FeF A LE BAIL A DESERT and J L FOURQUET J Solid State Chem 84 408 412 1990 51 12 Copper containing minerals I Cu V207 OH 2 2H O the synthetic homologue of volborthite crystal structure determination from X ray and neutron data structural correlations M A LAFONTAINE A LE BAIL and G FEREY J Solid State Chem 85 220 227 1990 50 19 Structure determination of NaPbFe F by X ray powder diffraction A LE BAIL J Solid State Chem 83 267 271 1989 49 39 Structure of vanadyl hydrogenphosphate dihydrate o VO HPO 2H O solved from X ray and neutron powder diffraction A LE BAIL G FEREY P AMOROS and D BELTRAN PORTER Eur J Solid State Inorg Chem 26 419 426 1989 48
3. Sixth International School and Workshop of Crystallography 22 27 January 2000 Ismailia Egypt Advances in Microstructure Analysis by the Rietveld Method Conf rence en ligne a http www cristal org egypte conf2 index html 16 20th European Crystallographic Meeting ECM 20 August 25 31 2001 Krakow Poland Stucture determination by powder diffractometry Distance teaching and distance learning Conf rence en ligne http sdpd univ lemans fr conf html 17 20th European Crystallographic Meeting ECM 20 August 25 31 2001 Krakow Poland Old style amorphous structure modelling does it can still bring something Conf rence en ligne http sdpd univ lemans fr conf html 2002 2 conf rences invit es annul es EPDIC 8 Uppsala Suede et ACA 2002 San Antonio USA en raison d un grave accident de voiture 18 CONCIM 2003 Conference on Non Crystalline Inorganic Materials Bonn Allemagne 8 12 avril 2003 Reverse Monte Carlo and Rietveld modelling of BaMn Fe V F glass structures from neutron data 19 AFC 2003 7 10 Juillet 2003 Caen France Diffraction de poudre et Monte Catlo indexation de diagramme et solution de structure 20 ECM 21 24 49 August 2003 Durban South Africa McMaille v3 indexing via Monte Carlo search matching against an idealized powder profile 21 One day Single Crystal and Powder Diffraction Software Workshop E CM 21 International Conference Centre Du
4. 15 NH 2FeFs crystal structures of its and B forms J L FOURQUET A LE BAIL H DUROY and M C MORON Eur J Solid State Inorg Chem 26 435 443 1989 47 Crystal structure determination of Rb CrsF17 Y LALIGANT A LE BAIL and G FEREY Eur J Solid State Inorg Chem 26 445 454 1989 46 Crystal structure of Rb NaAl F a new term of the A Na A1 F3 1 3 family A Rb Cs A LE BAIL Y GAO and C JACOBONI Eur J Solid State Inorg Chem 26 281 288 1989 45 Crystal structure of Na Sr4Al F26 A HEMON A LE BAIL and G COURBION J Solid State Chem 81 299 304 1989 44 Li H topotactic exchange on LiSbO The series Lii H SbO 0 lt x lt 1 J L FOURQUET P A GILLET and A LE BAIL Mat Res Bull 24 1207 1214 1989 43 Complex Palladium Oxides V Crystal structure of LiBiPd O An example of three different fourfold coordinations of cations Y LALIGANT A LE BAIL and G FEREY J Solid State Chem 81 58 64 1989 42 Crystal structure of Li ThF solved by X ray and neutron diffraction Y LALIGANT A LE BAIL D AVIGNANT J C COUSSEINS et G FEREY J Solid State Chem 80 206 212 1989 41 38 Crystal structure of B VO HPO 2H 0 solved from X ray powder diffraction A LE BAIL G FEREY P AMOROS D BELTRAN PORTER and G VILLENEUVE J Solid State Chem 79 169 176 1989 40 56 Synthetic pathways to vanadyl phosphates D BELTRAN PORTER P AMOROS R IBA
5. 1988 33 17 LiNbWO crystal structure of its two allotropic forms J L FOURQUET A LE BAIL and P A GILLET Mat Res Bull 23 1163 1170 1988 32 Synthesis and ab initio structure determination from X ray powder data of Ba PdO with sevenfold coordinated Ba Structural correlations with K NiF and Ba NiF Y LALIGANT A LE BAIL G FEREY M HERVIEU B RAVEAU A WILKINSON and A K CHEETHAM Eur J Solid State Inorg Chem 25 237 247 1988 31 22 Ordered Pd Cu substitution in 1 2 3 superconductor the oxide YBayCuy Pd Oy x 0 5 with Pd in square planar coordination G FEREY A LE BAIL Y LALIGANT M HERVIEU B RAVEAU A SULPICE and R TOURNIER J Solid State Chem 73 610 614 1988 30 Electron microscopy study of the superconductor Bi SrCaCu2Og M HERVIEU C MICHEL B DOMENGES Y LALIGANT A LE BAIL G FEREY and B RAVEAU Modern Physics Letters B 2 1 491 500 1988 Republi comme article dans Chemical and structural aspects of high temperature superconductors World Scientific Ed C N R RAO F R S Progress in High Temperature Superconductivity Vol 7 p 159 168 1988 29 388 Ab initio structure determination of LiSbWO by X Ray powder diffraction A LE BAIL H DUROY et J L FOURQUET Mat Res Bull 23 447 452 1988 28 15 Structural aspects of amorphous iron IIT fluorides J M GRENECHE A LE BAIL M LEBLANC A MOSSET F VARRET J GALY and
6. LOUER Rev Chim Miner 17 522 1980 3 23 Smoothing and validity of crystallite size distributions from X ray line profile analysis A LE BAIL et D LOUER J Appl Cryst 11 50 55 1978 2 Crystallite size distributions from X ray line profile analysis smoothing validity and application to a chemical reaction A LE BAIL et D LOUER Proc Conf on Applied Crystallography Kozubnik Poland 477 490 1978 1 D termination directe des coefficients de Fourier lors de l analyse des profils de raies de diffraction des rayons X A LE BAIL et D LOUER Bull Soc Fr Miner Cristallographie 99 211 215 1976 Publications Electroniques vpertextes l URL Ces publications sont tourn es vers l international elles sont donc en anglais pour la plupart Il s agit ci dessous de la liste des nouveaut s ajout es au site Web ann e apr s ann e On y trouve des didacticiels des posters des conf rences compl tes texte et transparents des logiciels avec manuel d utilisation de vrais publications dans des journaux purement lectroniques avec referees des bases de donn es avec moteur de recherche par mots cl s des compte rendus de contribution des Round Robin en cristallographie e A subset of the COD stores atomic coordinates of predicted crystal structure the e New Monte Carlo code for inorganic structure prediction G 2003 e See the new UPPW skrvice Unindexed Powder Pattern of the Wee
7. http www cristal org vrml seattle seattle html 9 ACA 97 July 19 25 1997 St Louis Missouri USA Standard and special strategies in structure determination from powder data Conf rence en ligne http www cristal org iniref aca97 aca97 html 10 47th Annual Denver X ray Conference August 3 7 1998 Colorado Springs Colorado USA New Developments in Microstructure Analysis via Rietveld Refinement Conf rence en ligne http www cristal org microstruct denver index html 11 ECM 18 August 15 20 1998 Prague R publique Tch que Trends in Structure Determination by Powder Diffractometry Conf rence en ligne http www cristal org iniref ecm18 ecm18 html 21 12 Kunming IUCr Workshop China July 1999 Structure Determination by Powder Diffractometry Conf rence en ligne http sdpd univ lemans fr kunming index html 13 XVIIIth IUCr Congress amp General Assembly 4 13 August 1999 Glasgow Scotland Structure Solution from Powder Diffraction Data Workshop The Practice of Fobs Extraction from Powder Diffraction Data Conf rence en ligne a http www cristal org glasgow index html 14 Sixth International School and Workshop of Crystallography 22 27 January 2000 Ismailia Egypt Combining the Reverse Monte Carlo and the Rietveld Methods for Amorphous Materials Structure Modelling Conf rence en ligne http www cristal org egypte conf1 index html 15
8. Armel Le Bail Juin 2004 DR2 Matricule 51892 Section 15 Laboratoire des Oxydes et Fluorures UMR 6010 Universit du Maine Facult des Sciences Avenue Olivier Messiaen 72085 LE MANS Cedex 9 ry 33 02 43 83 33 47 Fax 33 02 43 83 35 06 E mail alb cristal org Web http www cristal org LISTE COMPLETE des PRODUCTIONS SCIENTIFIQUES 1976 2004 PLAN Publications traditionnelles Publications lectroniques Communications posters Conf rences invit es 13 17 21 Publications traditionnelles Entre parenth ses apr s le num ro d ordre est donn lorsqu il est sup rieur ou gal 10 le nombre de citations dans la p riode 1975 mars 2003 ainsi qu il peut tre obtenu dans le Science Citation Index ISI par consultation du Web of Science 135 Renewed interest in powder diffraction data indexing J Bergmann A Le Bail R Shirley and V Zlokazov Z Kristallogr Submitted 134 Monte Carlo indexing with McMaille A Le Bail Powder Diffraction Accepted 133 Size strain line broadening analysis of the ceria round robin sample II The results of the Round Robin D Balzar N Audebrand M R Daymond A Fitch A Hewat J I Langford A Le Bail D Lou r O Masson N C Popa P W Stephens B Toby J Appl Cryst submitted 132 Geometrically restrained inorganic structure prediction GRINSP A Le Bail IUCr Computing Commission Newsletter submitted 131 Unindexed p
9. E Win95 software for amorphous structure modelling based on the Rietveld method SDPD D Structure Determination from Powder Diffraction Database OVERLAP Win95 software selecting reflections during a SDPD ICDD and Rietveld method 1994 Powder diffractometers and Rietveld method Br viaire du chercheur in french Communications Posters 1 6 me Colloque Annuel du Groupe Fran ais de Croissance Cristalline 1977 D termination des fonctions de r partition de taille des cristallites partir du profil des raies de diffraction des rayons X Croissance des cristallites d hydroxyde de nickel provenant de la transformation d un hydroxynitrate 2 Conference on Applied Crystallography Kozubnik Pologne 1978 Crystallite size distributions from X ray line profile analysis smoothing validity and application to a chemical reaction 3 International Symposium Order Disorder in Solids Paris 1978 X ray study of the transformation nickel hydroxynitrate into hydroxyde 4 5 me Congr s International de Physique des Solides Non Cristallins Montpellier 1982 Short range antiferromagnetic ordering in fluoride glasses PbMnFeF and PbMnFeF gt 5 2 me Conf rence Europ enne de Chimie de l Etat Solide Eindhoven 1982 Physical properties and structure approach of the 3d transitions metal fluoride glasses PbF MF MPF 3 6 Journ es de l Etat Solide Bordeaux 1984 Structure des verres fluor s NasM ii
10. E 89 Budapest Mossbauer study of a new crystalline fluoride NaPbFe2Fo 27 Workshop on Rietveld Analysis NERF Petten Pays Bas 1989 Characterisation of the unusual disordered phase La Co740474Li0 52 by powder diffraction 28 M R S Spring Meeting San Diego USA 1989 Crystal structure of some by products of the synthesis of copper and palladium substituted high Tc superconductors 29 32 me IUPAC Congress Stockholm 1989 Structures of oxocuprate Il vanadate V hydrates Cu V2 0 3H2O Cu V20g H20 and CuV 20 H20 30 Ninth European Symposium on Fluorine Chemistry Leicester 1989 Crystal Structure of Li TbF and magnetic study under high magnetic field 31 International Congress on Powder Diffraction Toulouse France 1990 Crystal structure of Co3 HPO OH related to mineral Lazulite solved by X ray and neutron powder diffraction 32 Accuracy in Powder Diffraction II APD II Gaithersburg USA 1992 Extracting Structure Factors by Iterating Full Profile Pattern Fitting poster 33 Vth European Conference on Solid State Chemistry Dresde 1992 Crystal Chemistry in Fluoride AMM Fo Structural and Magnetic Study poster 34 m me congr s Structures of New CsAIF Polymorphs poster 35 m me congr s Crystal Structure of a new MX Corner Sharing Octahedra 3D Network poster 36 Journ es de la Division Chimie du Solide SFC Paris 4 6 Septembre 1996 R seaux Tridim
11. G FEREY J Phys C Solid State Phys 21 1351 1361 1988 27 Les vari t s bronze de tungst ne hexagonal des trifluorures VF et CrF R DE PAPE A LE BAIL F LUBIN et G FEREY Revue de Chimie Min rale 24 545 551 1987 26 Structure of fluorozirconate glasses a quasi crystalline modelling of BaZr2F 9 A LE BAIL B BOULARD and C JACOBONI Materials Science Forum 19 20 127 136 1987 25 A premartensitic phase in KAIF neutron and X ray scattering evidences A GIBAUD A BULOU A LE BAIL J NOUET and C M E ZEYEN J Physique 48 1521 1532 1987 24 55 A new study of the structure of LaNisD using a modified Rietveld method for the refinement of neutron powder diffraction data C LARTIGUE A LE BAIL and A PERCHERON GUEGAN J of the Less Common Metals 129 65 76 1987 23 Local environment of Zr in baryum fluorozirconate glasses the EXAFS point of view B BOULARD A LE BAIL J P LAVAL et C JACOBONI J de Physique Colloque C8 47 791 794 1986 22 11 Local environment of tungsten in mixed valence tungsten phosphate glasses an EXAFS study F STUDER A LE BAIL and B RAVEAU J Solid State Chem 63 414 423 1986 21 EXAFS of mixed valence iron potassium phosphate glasses F STUDER and A LE BAIL J de Physique Colloque C8 47 781 785 1986 20 15 A re investigation of the room temperature phase of KA F evidence of antiphase domains A GIBAUD A LE BAIL an
12. NEZ E MARTINEZ A BELTRAN PORTER A LE BAIL G FEREY G VILLENEUVE Solid state Ionics 32 33 57 69 1989 39 10 Crystal structure and protonic conductivity of pyrochlore phases Al OH xFx 6 H2O and AL OH F 6 x 0 5 J L FOURQUET M RIVIERE A LE BAIL M NYGRENS and J GRINS Eur J Solid State Inorg Chem 25 535 540 1988 38 22 Crystal structure of A VO HPO A NH K Rb solved from X ray powder diffraction P AMOROS D BELTRAN PORTER A LE BAIL G FEREY and G VILLENEUVE Eur J Solid State Inorg Chem 25 599 607 1988 37 Determination of the crystal structure of Li TbF from X ray and neutron powder diffraction An example of Lithium in fivefold coordination Y LALIGANT A LE BAIL G FEREY D AVIGNANT and J C COUSSEINS Eur J Solid State Inorg Chem 25 551 563 1988 36 Chemical vapour deposition of fluorides Molecular dynamic simulation of amorphous systems B BOULARD A LE BAIL C JACOBONI and J H SIMMONS Materials Science Forum 32 33 61 68 1988 35 34 Crystal structure of the metastable form of aluminium trifluoride B AIF and the gallium and indium homologs A LE BAIL C JACOBONI M LEBLANC R DE PAPE H DUROY and J L FOURQUET J Solid State Chem 77 96 101 1988 34 Li H topotactic exchange on beta Li Nb4 W O3 0 lt x lt 0 5 The series Ha Nba x W O03 J L FOURQUET P A GILLET and A LE BAIL Mat Res Bull 23 1253 1260
13. NH3 4 Cr 07 Y LALIGANT and A LE BAIL Powder Diffraction 10 159 164 1995 89 Ab initio Crystal Structure Determination of VO H2PO2 2 H20 from X ray and Neutron Powder Diffraction Data A Monodimensional Vanadium IV Hypophosphite A LE BAIL M D MARCOS and P AMOROS Inorg Chem 33 2607 2613 1994 88 Synthesis and Crystal Structure of LigBi2PdO Determined Ab Initio from X ray Powder Diffraction Data Y LALIGANT and A LE BAIL Eur J Solid State Inorg Chem 30 689 698 1993 87 13 Synthesis and Crystal Structure of a Tubular Hydroxyphosphite Zn HPO3 3 OH 5 M D MARCOS P AMOROS and A LE BAIL J Solid State Chem 107 250 257 1993 86 Synthesis and Structure Approach of K Ba AlF 3CL A LE BAIL A HEMON RIBAUD and G COURBION J Solid State Chem 107 234 244 1993 85 19 B Ba3AIFo a Complex Structure Determined from Conventional X Ray Powder Diffraction A LE BAIL J Solid State Chem 103 287 291 1993 84 Crystal Structure Approach of KCaAl Fo A New Hexagonal Tungsten Bronze Related Structure A HEMON A LE BAIL and G COURBION Eur J Solid State Inorg Chem 30 415 426 1993 83 The Structure of Li Cu O4 a Compound With Formal Mixed Valence R BERGER P ONNERUD Y LALIGANT and A LE BAIL J of Alloys and Compounds 190 295 299 1993 82 On the Structure of NasV P30 4 H O A LE BAIL J Solid State Chem 102 281 282 1993 81 Modelling A
14. NNE A JOUANNEAUX M TOURNOUX and A LE BAIL J Solid State Chem 97 186 198 1992 72 Crystal structure of Pb MnFe F 3H 0 A LE BAIL and A M MERCIER Acta Cryst C48 239 241 1992 71 Crystal structure of PbgMnFe2F 24 A LE BAIL and A M MERCIER Eur J Solid State Inorg Chem 29 183 190 1992 70 Crystalline phases related to the icosahedral Al Li Cu phase a single crystal X ray diffraction study of the tetragonal tau Al5 Cu Zn Li33 phase M LEBLANC A LE BAIL and M AUDIER Physica B 173 329 355 1991 69 Crystalline phases related to the icosahedral Al Li Cu phase A single crystal X ray diffraction study of the hexagonal Z Als9CusLi2g6 Mgio phase A LE BAIL M LEBLANC and M AUDIER Acta Cryst B47 451 457 1991 68 Structure of the decahydrated octaacetate of dineodyme III and cobalt ID Nd Co CH3CO0 s 10H 0 A GONZALEZ A BELTRAN and A LE BAIL Acta Cryst C47 1624 1627 1991 67 11 Layer structure of CoCl H PO H 0 M D MARCOS R IBANEZ P AMOROS and A LE BAIL Acta Cryst C47 1152 1155 1991 66 Synthesis crystal structure and magnetic properties of Co3 HPO4 2 OH related to the mineral Lazulite J L PIZARRO G VILLENEUVE P HAGENMULLER and A LE BAIL J Solid State Chem 92 273 285 1991 65 Crystal structure of Pd NO3 2 H20 2 Y LALIGANT G FEREY and A LE BAIL Mat Res Bull 26 269 275 1991 64 42 Recent advances in the che
15. RS a deux ans 1999 2001 2000 Contributions to the chemistry preprints server http preprint chemweb com Liste de discussion REcherche SClentifique Fran aise RESCIF A new tutorial for speeding up ESPOIR use Contribution to the Size Strain Round Robin with program ARIT K alpha believe your eyes or trust mathematics Contributions to EPDIC 7 Barcelona 20 23 May 2000 poster 1 or preprint and poster 2 or preprint ESPOIR 3 50 now driven by a Windows GUI It can locate up to 6 independent molecules by Monte Carlo from powder diffraction data Torsion angles are automatically located and possibly varied recent developments sponsored by the DuPont Company GNU Public License Contributions to the Sixth International School and Workshop of Crystallography 22 27 January 2000 Ismailia Egypt conference 1 and conference 2 1999 CrySoCoM Crystallography Source Code Museum PowBase a free access database of raw powder patterns SDPD Internet Course learn to determine a crystal structure from powder diffraction data Webcam of the University of Maine Sciences Faculty Contributions to IUCr XVIIIth Glasgow Scotland Workshop on structure solution from powder data computer Fayre and poster Contribution to the Kunming China workshop on structure determination and refinement from powder data In french Succ s checs des dossiers gagnants ou perdants ou m me gagnants perdants N h sitez plus contribuer
16. d A BULOU J Phys C Solid State Phys 19 4623 4633 1986 19 10 Fluorocomplexes of Niobium IV Part V the magnetic structure of MnNbF D BIZOT J CHASSAING J PANNETIER M LEBLANC A LE BAIL G FEREY Solid State Commun 58 71 74 1986 18 Etude EXAFS de la structure pyrochlore type RbNiCrF A LE BAIL C JACOBONI et R DE PAPE J Solid State Chem 61 188 196 1986 17 Analyse globale des spectres de diffraction des mat riaux mal cristallis s A LE BAIL Comptes Rendus 10 me Colloque Siemens sur les Rayons X 45 58 Grenoble 1985 16 Synthesis characterization and crystallization of the amorphous iron II fluoride FeF3 xHF 0 4 lt x lt 1 M LEBLANC G FEREY J M GRENECHE A LE BAIL F VARRET R DE PAPE et J PANNETIER J de Physique colloque C8 46 175 179 1985 15 Partial structure factors of fluoride glasses Pb Mt Mt Fo by neutron diffraction A LE BAIL C JACOBONI et R DE PAPE J Non Crystalline Solids 74 213 221 1985 14 Neutron magnetic diffraction study of fluoride Pb MnFeF spin glass diluted by diamagnetic ions A LE BAIL C JACOBONI et R DE PAPE J Non Crystalline Solids 74 205 212 1985 13 Correlations between magnetic and crystallochemical behaviour in 3d U fluoride glasses G COURBION J GUERY A LE BAIL et C JACOBONI Materials Science Forum Vol 6 739 742 1985 12 Actual knowledge of 3d transition metal fluoride glasses
17. ensionnels 6 Connect s Poster en ligne http www cristal org vrml 6c3d 6c3dnets html 37 First International Conference on Inorganic materials Versailles France Septembre 1998 Comparing RMC and RDM glass structure modelling methods Poster en ligne http www cristal org glasses versailles poster html 38 XVIIIth IUCr Congress amp General Assembly 4 13 August 1999 Glasgow Scotland Does conventional powder diffraction beat a synchrotron Poster en ligne a http www cristal org glasgow poster glasgowposter html 39 EPDIC 7 7th European Powder Diffraction Conference Barcelona 20 23 May 2000 ESPOIR A Program for Solving Structures by Monte Carlo from Powder Diffraction Data Poster en ligne http www cristal org epdic 7 poster1 index html 40 EPDIC 7 7th European Powder Diffraction Conference Barcelona 20 23 May 2000 Structure Determination by Powder Diffractometry Internet Course Poster en ligne a http www cristal org epdic 7 poster2 index html 41 Size Strain II Analysis of microstructure and residual stress by diffraction methods December 2 5 2001 Trento Italy Rietveld microstructural study of BaCO from natural carbonation of Ba OH 8H 0 Proceedings en ligne http sdpd univ lemans fr postscript carbonation pdf 42 IUCr XIX 6 15 August 2002 Geneva Size strain round robin first results and the comparative analysis of the measurem
18. ents 43 IUCr XIX 6 15 August 2002 Geneva Beyond classical Rietveld analysis using Le Bail fitting 44 IUCr XIX 6 15 August 2002 Geneva A crystal structure for the souzalite gormanite series from synchrotron powder diffraction data 20 Conf rences invit es 1 L U R E ORSAY 10 03 1986 Imperfections cristallines et m thode de RIETVELD possibilit s actuelles 2 GALERNE 1986 CAEN 29 09 03 10 1986 Analyse globale des spectres de diffraction de compos s mal cristallis s 3 UNIVERSITE DE VALENCE ESPAGNE Juillet 1988 Ab initio crystal structure determination from powder diffraction data 4 UNIVERSITE DE VALENCE ESPAGNE Avril 1990 Twinning and superstructures some recent examples of structure solution from X Ray diffraction 5 CONGRES INTERNATIONAL POWDER DIFFRACTION 16 19 Juillet 1990 TOULOUSE The practice of structure determination from powder data how to succeed 6 CONGRES INTERNATIONAL ACCURACY IN POWDER DIFFRACTION II APD IT 26 29 Mai 1992 Gaithersburg USA Modelling Anisotropic Size Microstrain in Rietveld Analysis 7 CONGRES INTERNATIONAL SIZE STRAIN 95 Ao t 1995 Slovaquie Accounting for Size Microstrain in Whole Powder Pattern Fitting 8 XVII Congress and General Assembly of the International Union of Crystallography August 8 17 1996 Seattle USA VRML as a tool for exploring complex structures Conf rence en ligne a
19. he measurements D Balzar N Audebrand M R Daymond A Fitch A Hewat J I Langford A Le Bail D Lou r O Masson C N McCowan N C Popa P W Stephens B Toby J Appl Cryst submitted 121 Order through random numbers Indexing and solving crystal structures from powder diffraction data using Monte Carlo methods A Le Bail IUCr Computing Commission Newsletter 1 2003 84 87 120 Methods for integrated intensities extraction in powder diffractometry Out of prehistory A Le Bail Z Kristallogr 217 2002 338 340 119 Rietveld microstructural study of BaCO from natural carbonation of Ba OH 8H 0 A Le Bail amp Y Laligant Chemistry Preprint Server http preprint chemweb com inorgchem 0202001 2002 118 Ab initio structure determination of lanthanum cyclo tetratungstate amp La W209 from X ray and neutron powder diffraction Y Laligant A Le Bail and F Goutenoire J Solid State Chem 159 2001 223 227 117 Revisiting the 1998 SDPD Round Robin A Le Bail and L M D Cranswick IUCr CPD Newsletter 25 2001 7 9 116 ESPOIR A Program for Solving Structures by Monte Carlo from Powder Diffraction Data A Le Bail Mat Sci Forum 378 381 2001 65 70 115 Structure Determination by Powder Diffractometry Internet Course A Le Bail Y Laligant and A Jouanneaux Mat Sci Forum 378 381 2001 47 52 114 Trends in structure determination by powder diffracto
20. in whole powder pattern fitting A Le Bail in Defect and Microstructure Analysis by Diffraction R Snyder J Fiala amp H Bunge Editors Oxford Science Publications Chapter 22 535 555 1999 105 Structure of Co NH3 s CO3 NO3 H O J H Zhu H X Wu and A Le Bail Solid State Science 1 55 62 1999 104 Structure of amp NaCaAlFs determined ab initio from conventional powder diffracton data A Le Bail A Hemon Ribaud and G Courbion Eur J Solid State Inorg Chem 35 265 272 1998 103 LigP6Oj3 X ray powder structure determination of lithium cyclohexaphosphate T Ben Chaabane L Smiri Dogguy Y Laligant and A Le Bail Eur J Solid State Inorg Chem 35 255 264 1998 102 Synthesis and crystal structure of alpha Ba2ZrFs and Pb 2ZrFsg determined ab initio from synchrotron and neutron powder diffraction data A Le Bail and J P Laval Eur J Solid State Inorg Chem 35 357 372 1998 101 Structure of Na Ca HPO Determined ab initio from Conventional Powder Diffraction Data T Ben Chaabane L Smiri Dogouy Y Laligant and A Le Bail Eur J Solid State Inorg Chem 34 937 946 1997 100 Structure of BaGaF 2H O from Conventional and Synchrotron Powder Diffraction Data A Jouanneaux and A Le Bail Eur J Solid State Inorg Chem 34 925 936 1997 99 18 Structure of Zeolitic K T1iSi30o H0O Determined ab initio from Powder Diffraction Data M S Dadachov and A Le Bail Eu
21. k e Contribution to SSPDO03 Stara Lesna Slovakia 14 19 September 2003 PowerPoint r Zipped Howerpoint file abstract in PIDF See also some Answer from the IUCr to the COD asking for permission to give a link to their CIFs unes to RER 21 Durban South Africa 24 29 Aug oust 2003 PowerPoint or dipped HowerPoint file See also a few pli e Contribution to CONCIM 2003 Bonn Germany 8 12 April 2003 PowerPoint or zipped PowerPoint e The Crystallography Open Database The COD 2002 e McMaille A new powder pattern indexing software by Monte Carlo or grid search in pseudo direct space e SDPDRR 2 The second Structure Determination by Powder Diffractometry Round Robin starting September 9th 2002 Search Match Round Robin Deadlines June 15 and June 30 2002 Contribution to SIZE STRAIN HI Analysis of microstructure and residual stress by diffraction methods December 2 5 2001 Trento Italy PDF file 2001 Contributions to ECM 20 Krakow Poland August 25 31 2001 Conference 1 about the SDPD Internet Course html zipped power point file and conference 2 about amorphous structure modelling html zipped power point file See also a few pictures List of gt 300 minerals with unknown crystal structure Trends in SDPD activity ESPOIR version for parallel computing Florent Calvayrac Most cited papers from Le Mans ISI source Most cited papers about Powder Diffraction ISI source Rapport CN
22. lation expecting it to be more fun HKLGEN Win95 software for hkl d hkl 2 theta generation from cell parameters and space group Searchltile whole site by keywords with Altavista like user interface ARRED Academic Research Rare Expert Directory add yourself if you expect external collaboration 1997 Are you listed by ISI among the 10858 most cited chemists See also the most cited french chemists or search by author name Finally try the 1120 most cited physicists NOCHAOS Win 95 software building quickly configuration files for Reverse Monte Carlo Modelling RMCAW9S Win 95 executables of RMCA RANDOM MOVEOUT and CRYSTAL Contribution to ACA 97 StLouis GLASSVIR Win 95 software creating VRML files of RMCA output for 3D visualization Contribution to the RMC Modelling Internet Conference 1997 Jeu des caricatures in french Tutorial for Ab initio structure determination from powder diffraction data t AIF3 molecule of the month TREOR ITO13 and DICVOL for Win95 with possible zeropoint correction ERACEL Win95 software refining cell parameters 1996 STRUVIR Win 95 software creating VRML files for crystal structure 3D visualization VRML and crystallography Contribution to IUCr XVII Seattle 1996 6 connected 3D nets Universit du Maine virtuelle in french Rapport d activit s in french SHELX76 for Win95 1ibi77 lib and libf77 lib compiled for using f2c under Win95 with MSVC 2 0 1995 ARITV
23. metry A Le Bail in Advances in Structure Analysis Edited by R Kuzel and J Hasek published by the Czech and Slovak Crystallographic Association 2001 166 189 113 Combining the Reverse Monte Carlo and the Rietveld Glass Structure Modelling Methods A Le Bail The Chemistry Preprint Server CPS http preprint chemweb com inorgchem 0008001 2000 112 22 The room temperature crystallisation of a one dimensional gallium fluorophosphate Ga HPO F H3N CH2 3NH3 2H 0 a precursor to three dimensional microporous gallium fluorophosphates R I Walton F Millange D O Hare A Le Bail T Loiseau C Serre G F rey Chem Comm 3 203 204 2000 111 Reverse Monte Carlo and Rietveld Modelling of the NaPbM gt F M Fe V Fluoride Glass Structures A Le Bail J Non Cryst Solids 271 249 259 2000 110 New developments in microstructure analysis via Rietveld refinements A Le Bail Advances in X ray Analysis Vol 42 191 203 2000 109 Investigation of mixed divalent cation phosphates synthesis and X ray powder structure determination of CdBa2 P207 HPO L Ben Taher L Smiri Y Laligant and A Le Bail Solid State Sciences 2 285 292 2000 108 The powder diffraction handicap A Le Bail JUCr Newsletter 7 N 4 p 4 107 Solving structures by reverse Monte Carlo from scratch A Le Bail CPD Newsletter 21 13 14 1999 106 Accounting for size and microstrain
24. mistry and properties of oxovanadium phosphates D BELTRAN PORTER A BELTRAN PORTER P AMOROS R IBANEZ E MARTINEZ A LE BAIL G FEREY G VILLENEUVE Eur J Solid State Inorg Chem 28 131 161 1991 63 Synthesis and crystal structure of NaSrAIF A HEMON A LE BAIL and G COURBION Eur J Solid State Inorg Chem 27 905 912 1990 62 11 Defect structure of the anion excess fluorite related SmF 6000 70 phase J P LAVAL A ABAOUZ B FRIT AND A LE BAIL Eur J Solid State Inorg Chem 27 545 555 1990 61 Structure determination of NiV2O from X ray powder diffraction a rutile ramsdellite intergrowth A LE BAIL and M A LAFONTAINE Eur J Solid State Inorg Chem 27 671 680 1990 60 16 Structure determination of B and y BaAIF by X ray and neutron powder diffraction A model for the a gt B lt y transitions A LE BAIL G FEREY A M MERCIER A De KOZAK and M SAMOUEL J Solid State Chem 89 282 291 1990 59 The crystal and molecular structures of Cr NH3 Ni H20 Cls NHiCDos M C MORON A LE BAIL and J PONS J Solid State Chem 88 498 504 1990 58 10 NH CdF3 Structure of the low temperature phase A LE BAIL J L FOURQUET J RUBIN E PALACIOS and J BARTOLOME Physica B 162 231 236 1990 57 11 Synthesis and crystal structure of Naji V4P40 7 OH x 1 44 A LE BAIL M LEBLANC and P AMOROS J Solid State Chem 87 178 185 1990 56 22
25. nisotropic Crystallite Size Microstrain in Rietveld Analysis A LE BAIL N LS T Special Publication 846 142 153 1992 80 10 Synthesis and crystal structure of y BaZrFs A LE BAIL and A M MERCIER J Solid State Chem 101 229 236 1992 79 t AlF3 Crystal structure determination from X ray powder diffraction data A new MX corner sharing octahedra 3D network A LE BAIL J L FOURQUET and U BENTRUP J Solid State Chem 100 151 159 1992 78 14 Crystal structure and thermal behaviour of H2Ti 07 a new defective ramsdellite form from Li H exchange on LiTi30 A LE BAIL and J L FOURQUET Mat Res Bull 27 75 85 1992 77 17 Synthesis and crystal structure of o NH4 VO2 HPO P AMOROS and A LE BAIL J Solid State Chem 97 283 291 1992 76 Crystal structure and thermolysis of K H502 Al Fo A LE BAIL H DUROY and J L FOURQUET J Solid State Chem 98 151 158 1992 75 Polymorphism of CsAIF Synthesis and structure of two new crystalline forms U BENTRUP A LE BAIL H DUROY and J L FOURQUET Eur J Solid State Inorg Chem 29 371 381 1992 74 Synthesis X ray single crystal structure determination and dehydration study of BaZr F 0 240 by X ray powder Thermodiffractometry Y GAO J GUERY A LE BAIL and C JACOBONI J Solid State Chem 98 11 24 1992 73 Structure and phase transitions of low dimensional Thallium Vanadium Bronze T1 V205 0 44 lt x lt 0 48 M GA
26. owder pattern of the week UPPW A Le Bail CPD Newsletter 31 2004 63 64 130 PPP Powder Pattern Prediction A Le Bail CPD Newsletter 31 2004 51 53 129 Characterization and structure determination of ammonium bismuth oxalate Bi NH q C204 2 xH20 G Vanhoyland A Le Bail J Mullens L C Van Poucke Inorg Chem 43 2004 785 789 128 How easy hard is to convert raw data into a Web database A Le Bail IUCr Computing Commission Newsletter 2 2003 39 41 127 Reverse Monte Carlo and Rietveld modelling of BaMn Fe V F glass structures from neutron data A Le Bail Chemistry Preprint Server http preprint chemweb com inorgchem 03 10001 2003 126 Results and conclusions of the internet based Search Match Round Robin 2002 J M Le Meins L M D Cranswick A Le Bail Powder Diffraction 18 2003 106 113 125 SDPD Round Robin 2002 Results A Le Bail amp L Cranswick CPD Newsletter 29 2003 31 34 124 A crystal structure for the souzalite gormanite series from synchrotron powder diffraction data A Le Bail P W Stephens amp F Hubert European Journal of Mineralogy 15 2003 719 723 123 Distorted chiolite crystal structures of o NasM3F 4 M Cr Fe Ga studied by X ray powder diffraction A Le Bail amp A M Mercier Powder Diffraction 18 2003 128 134 122 Size strain line broadening analysis of the ceria round robin sample I Methodology and the comparative analysis of t
27. r J Solid State Inorg Chem 34 381 390 1997 98 17 Qualitative Account for Anisotropic Broadening in Whole Powder Diffraction Pattern Fitting by Second Rank Tensors A LE BAIL and A JOUANNEAUX J Appl Cryst 30 265 271 1997 97 Structure of SrsZr F gt Determined from an Inversion Twinned Crystal A LE BAIL Eur J Solid State Inorg Chem 33 1211 1222 1996 96 Barium Oxomercurato Il Oxoruthenate VI BaHgRuO A new Oxomercurate with a Cyclic Mercurate Ruthenate Anion High Pressure Synthesis and Ab Initio Structure Approach by X Ray Powder Diffraction Th HANSEN A LE BAIL and Y LALIGANT Materials Science Forum Vols 228 231 729 734 1996 95 Structure of FeVMoO A LE BAIL L PERMER and Y LALIGANT Eur J Solid State Inorg Chem 32 883 892 1995 94 Synthesis and Structure Approach of Barium Oxomercurato II Oxoruthenate VI BaRuHgO T HANSEN A LE BAIL and Y LALIGANT J Solid State Chem 120 223 230 1995 93 Crystal Structure of Fe4V Mo30 determined from Conventional X ray Powder Diffraction Data Y LALIGANT L PERMER and A LE BAIL Eur J Solid State Inorg Chem 32 325 334 1995 92 14 Modelling the Silica Glass Structure by the Rietveld Method A LE BAIL J Non Cryst Solids 183 39 42 1995 91 Helical Octahedral cis Chains in o BaFeF A LE BAIL and A M MERCIER Eur J Solid State Inorg Chem 32 15 24 1995 90 Structure of Pd
28. rban South Africa 24th August 2003 Limits of powder indexing of impure samples using whole profile methods 22 22 SSPD 03 14 19 September 2003 Stara Lesna Slovakia Monte Carlo indexing with McMaille 23 EMC Deuxi me Ecole Marocaine de Cristallographie El Jadida Maroc 10 14 Mai 2004 M thode Monte Carlo appliqu e l indexation des diagrammes de poudre et la r solution de structure 24 EMC Deuxi me Ecole Marocaine de Cristallographie El Jadida Maroc 10 14 Mai 2004 Bases de donn es publiques archives de laboratoires en ligne 25 ESCA 9 Recent Advances in X ray Powder Diffraction 27 Novembre 2 D cembre 2004 Assiut Egypt Structure prediction of inorganic compounds 26 Deuxi me Congr s Alg rien de Cristallographie Constantine Alg rie 17 21 Avril 2005 Pr diction de structures inorganiques par contraintes g om triques 23
29. ride glasses 17 3rd European Meeting of Solid State Chemistry Regensburg RFA 1986 EXAFS study of some Copper Fluorides 18 International Symposium on the Properties and Applications of Metal Hydrides V Maubuisson France 1986 A new study of the structure of LaNisD 7 using a modified Rietveld method for the refinement of neutron powder data 19 EXAFS and Near Edge Structure IV Fontevraud France 1986 Local environment of Zr in baryum fluorozirconate glasses the EXAFS point of view 20 m me congr s EXAFS of mixed valence iron potassium phosphate glass 21 4 me International Symposium on Halide Glasses Monterey USA 1987 Structure of baryum fluorozirconate glasses A quasi crystalline modelization of BaZr2F10 22 High Temperature Superconductors and Materials and Mechanisms of Superconductivity Interlaken Suisse 1988 Ordered Pd Cu substitution in 1 2 3 superconductor The oxyde Y BazCuz 5sPdo 50Ox 23 First European Inorganic Chemistry Seminar Euchem Dourdan France 1988 Structure and magnetic properties of oxovanadium IV hydrog nophosphate hydrates VO H PO x YH20 24 Ith International Symposium on the Reactivity of Solids Princeton USA 1988 Synthetic pathways to vanadyl phosphates 25 5 me International Symposium on Halide Glasses Japon 1988 Chemical vapour deposition of fluorides Dynamic simulation of amorphous systems 26 ICAM
30. sM iii oF43 par diffraction des rayons X et des neutrons s paration de six fonctions de paires partielles 7 Workshop on High Resolution Neutron Powder Diffraction Grenoble 1984 Fourier analysis in Rietveld method for ideal or imperfect crystallized powder sample 8 XI me Congr s International de cristallographie Hambourg 1984 A quasi crystalline simulation of Pb2M ii M iii F5 fluoride glass structure 9 m me congr s The Rietveld method using an experimental profile convoluted by adjustable analytical function 10 3 me Int Conf on the Structure of Non Crystalline Materials Grenoble 1985 Refining structural models for glasses is it possible The case of Pb2M gt Fo 11 m me congr s Synthesis characterization and crystallization of the amorphous iron III fluoride FeF3 xHF x lt 1 12 Progress in X ray Studies by Synchrotron Radiation Strasbourg 1985 Local structure in phosphotungstate glasses by EXAFS at tungsten absorption edge 17 13 m me congr s Local environment of M in pyrochlores AM F4 by EXAFS 14 10 me Colloque sur les Rayons X Siemens Grenoble 1985 Analyse globale des spectres de diffraction des mat riaux mal cristallis s 15 3 me International Symposium on Halides Glasses Rennes 1985 Actual knowledge of 3d transition metal fluoride glasses structure 16 m me congr s Correlations between magnetic and crystallochemical behaviour in 3d U fluo
31. structure A LE BAIL C JACOBONT et R DE PAPE Materials Science Forum Vol 6 441 448 1985 11 Refining structural models for glasses is it possible The case of Pb M F0 A LE BAIL C JACOBONI et R DE PAPE J de Physique Colloque C8 46 163 168 1985 10 Comparaison de Proc dures d Evaluation des distorsions et de la taille des cristallites par analyse des raies de diffraction des rayons X D LOUER R COUPE et A LE BAIL J Appl Cryst 17 131 133 1984 9 21 Ordre local dans quelques verres fluor s du syst me PbF M F M F par E X A F S A LE BAIL C JACOBONI et R DE PAPE J Solid State Chem 52 32 44 1984 8 Physical properties and structure approach of the 3d transition metal fluoride glasses PbF MF MF C JACOBONI A LE BAIL R DE PAPE et J P RENARD Stud Inorg Chem 3 687 690 1983 7 32 Fluoride glasses of 3d transition metals C JACOBONI A LE BAIL et R DE PAPE Glass Technology 24 164 167 1983 6 14 Ordre antiferromagn tique dans les verres fluor s PLMnFeF et Pb MnFeFo A LE BAIL C JACOBONI et R DE PAPE J Solid State Chem 48 168 175 1983 5 Short range antiferromagnetic ordering in fluoride glasses PbMnFeF and Pb MnFeFo A LE BAIL C JACOBONI and R DE PAPE J De Physique C9 677 680 1982 4 Etude par diffraction des rayons X de la transformation d un hydroxynitrate de nickel non stoechiometrique en hydroxyde A LE BAIL et D
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