IUCr XVII Abstract Listing for session 02.05

Session Chair: Abraham Clearfield
Materials Science & Engineering Program
Dept. Of Chemistry
Texas A & M Univ
College Station TX 77843
Phone: 409 845 2936
Fax: 409 845 4719
clear@acxrd.chem.tamu.edu

Program Contact: R. Hill
CSIRO Mineral Products
Box 312, Rosebank MDC
Clayton, Victoria 3169
AUSTRALIA
FAX 61 3 9562 8919
rod.hill@minerals.csiro.au

(E0067) MS02.05.01
Date: Monday, August 12, Time: 3:30 - 3:50, Room: 611
SUPRAMOLECULAR STRUCTURES FROM HIGH RESOLUTION POWDER DIFFRACTION
R. E. Dinnebier
robert.dinnebier@uni-bayreuth.de

(E0212) MS02.05.02
Date: Monday, August 12, Time: 3:50 - 4:10, Room: 611
SOLUTION AND REFINEMENT OF DRUG STRUCTURES FROM POWDER DATA
Kenneth Shankland
ks02@isise.ri.ac.uk

(E0969) MS02.05.03
Date: Monday, August 12, Time: 4:10 - 4:20, Room: 611
ZEOLITE STRUCTURE DETERMINATION FROM POWDER DATA: COMPUTER-BASED INCORPORATION OF CHEMICAL INFORMATION
R. W. Grosse-Kunstleve , L. B. McCuster and Ch. Baerlocher
rwgk@laplace.csb.yale.edu

(S0245) MS02.05.04
Date: Monday, August 12, Time: 4:20 - 4:40, Room: 611
POWDER STRUCTURES FROM LIMITED DATA SETS
Damodara M. Poojary and Abraham Clearfield
mdp0711@acxrd.chem.tamu.edu

(S0689) MS02.05.05
Date: Monday, August 12, Time: 4:40 - 4:50, Room: 611
DETERMINATION OF MOLECULAR CRYSTAL STRUCTURES FROM X-RAY POWDER DIFFRACTION BY MONTE CARLO METHODS
Maryjane Tremayne , Benson Kariuki and Kenneth Harris
uccamjt@ucl.ac.uk

(S0446) MS02.05.06
Date: Monday, August 12, Time: 4:50 - 5:10, Room: 611
CRYSTAL CHEMISTRY FROM POWDER DATA
Ian E. Grey
iang@dmp.csiro.au

(E0874) MS02.05.07
Date: Monday, August 12, Time: 5:10 - 5:20, Room: 611
INFORMATION ON SYMMETRY IN POWDER DIFFRACTION DATA
M. Ohmasa , K. Ohsumi and H. Toraya
ohmasa@sci.himeji-tech.ac.jp

(S0679) MS02.05.08
Date: Monday, August 12, Time: 5:20 - 5:40, Room: 611
THE TANGENT FORMULA DERIVED FROM PATTERSON FUNCTION ARGUMENTS: A USEFUL TOOL FOR SOLVING ZEOLITE STRUCTURES FROM X-RAY POWDER DATA
J. Rius and C. Miravitlles

(E0451) MS02.05.09
Date: Monday, August 12, Time: 5:40 - 6:00, Room: 611
DIRECT PHASING FROM POWDER DATA: THE EXTRA OPTIMIZED PROCEDURE
C. Giacovazzo , A. Altomare, C. Cascarano, A. Guagliardi, A. G. G. Moliterni, N. C. Burla and G. Polidori
giacovazzo@area.ba.cnr.it

(S0187) PS02.05.10
Session: II, Board: 047, Room: Not Yet Assigned
A NEW MONTE CARLO APPROACH TO STRUCTURE SOLUTION FROM POWDER DATA
Yuri G. Andreev , Philip Lighfoot and Peter G. Bruce
ua@st-and.ac.uk

(E0403) PS02.05.11
Session: II, Board: 048, Room: Not Yet Assigned
SOLVING CRYSTAL STRUCTURES FROM POWDER DATA: EXTRA AND SIRPOW PACKAGES
Maria C. Burla , A. Altomare, G. Cascarano, C. Giacovazzo, A. Guagliardi, A. G. G. Moliterni and G. Polidori
metodi@unipg.it

(E0544) PS02.05.12
Session: II, Board: 049, Room: Not Yet Assigned
AB-INITIO STRUCTURE DETERMINATION BY THE MAXIMUM ENTROPY AND LIKELIHOOD METHOD USING POWDER DIFFRACTION DATA AND THE CONCEPT OF HYPEROCTANT PHASE ANGLES
W. Dong and C. J. Gilmore
wei@chem.gla.ac.uk

(S0676) PS02.05.13
Session: II, Board: 050, Room: Not Yet Assigned
STRUCTURE DETERMINATION FROM POWDER DATA USING SYMMETRY ADAPTED FUNCTIONS: SIMREF22
J. Ihringer and H. Ritter
joerg.ihringer@uni-tuebingen.de

(D0082) PS02.05.14
Session: II, Board: 051, Room: Not Yet Assigned
CRYSTAL STRUCTURE DETERMINATION OF TWO POLYMORPHIC PHASES OF LANTHANUM NITRATE TETRAHYDRATE FROM X-RAY POWDER DIFFRACTION
M. Louer , A.E. Gobichon, J.P. Auffredic and D. Lou‘r
daniel.louer@univ-rennes1.fr

(S0712) PS02.05.15
Session: II, Board: 052, Room: Not Yet Assigned
AB INITIO CRYSTAL STRUCTURE DETERMINATION FROM LOW TEMPERATURE X-RAY POWDER DATA: THE CHIRAL COMPOUND L-CARVONE
C. Miravitlles , J. Rius, J, Sane, M.A. Cuevas and T. Calvet

(S0758) PS02.05.16
Session: II, Board: 053, Room: Not Yet Assigned
CRYSTAL STRUCTURE OF A NEW COORDINATION POLYMER, {[Ni2Cl2(L)(CH3OH)2(H2O)2]Cl2}n, FROM X-RAY POWDER DATA
A. Neels , B. Mathez Neels, H. Stoeckli-Evans, A. Clearfield and D.M. Poojary
an1234@acxrd.chem.tamu.edu

(S0508) PS02.05.17
Session: II, Board: 054, Room: Not Yet Assigned
AlMethylPO4H20: THE AB INITIO STRUCTURE SOLUTION OF A NEW LAYERED COMPOUND
Leslie-J M. Sawers , V. Carter, A.R. Armstrong, P.G. Bruce and P.A. Wright
ljms@se-and.ac.uh

(E1496) PS02.05.18
Session: II, Board: 055, Room: Not Yet Assigned
ACCURACY OF STRUCTURE FACTOR AMPLITUDES FROM A POWDER DIFFRACTION PATTERN: THE ROLE OF THE PRIOR INFORMATION
A. Guagliardi , A. Altomare, G. Cascarano, C. Giacovazzo, A.G.G. Moliterni, M.C. Burla and G. Polidori
a.guagliardi@area.ba.cnr.it

(NONE) PS02.05.00
Session: Not Yet Assigned, Board: Not Yet Assigned, Room: Not Yet Assigned
POWSIM, A PROGRAM SUITE TO SOLVE CRYSTAL STRUCTURES FROM POWDER DATA FROM SCRATH
R.B. Helmholt (THE NETHERLANDS), A. Etz, K. Goubitz, R Pescharand H. Schenk
rbh@crys.chem.uva.nl

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