Re: GSAS publications

armel@ONE.univ-lemans.fr
Wed, 15 Feb 1995 19:29:29 GMT

Martina Ralle wrote:

>I just finished my first Rietveld analysis on powder data (x-ray
>diffraction) with GSAS. The instrument that was used for the data
>collection was a SCINTAG diffractometer.
>Does anybody have an idea of WHERE I could find any recent publication of
>the refinement of powder data with GSAS?

Sure, for a non-exhaustive list :

Try database.carl.org by TELNET and perform a search on the
name "DREELE", there are 12 publications since 1989, some used
GSAS.

Some other works (ab initio structure determinations from powder
data may be extracted from the file INIREF.TXT on the ftp anonymous
site: aviion.univ-lemans.fr
pub/fluorlab

- "Tetrahedral-framework lithium zinc phosphate phases: location of
light-atom positions in LiZnPO4.H2O by powder neutron diffraction
and structure determination of LiZnPO4 by ab initio methods,"
W.T.A. Harrison, T.H. Gier, J.M. Nicol & G.D. Stucky, J. Solid
State Chem. 114 (1995) 249-257.

- "An examination of the structures of iodosylbenzene (PhIO) and the
related imido compound, PhINSO2-4-Me-C6H4, by X-ray powder diffraction
and EXAFS (extendex X-ray absorption fine structure) spectroscopy,"
C.J. Carmalt, J.G. Crossley, J.G. Knight, P. Lightfoot, A. Martin,
M.P. Muldowney, N.C. Norman & G. Orpen, J. Chem. Soc., Chem. Commun.,
(1994) 2367-2368.

_ "Ab initio determination of crystal structures by X-ray powder
diffraction: structure of Li29Zr9Nb3O40," P. Lightfoot, J. B.
Thomson, F.J. Little & P.G. Bruce, J. Mater. Chem. 4 (1994) 167-169.

- "Structural characterization of pyridazine (pydz) adducts of MX2 (M =
Mn, Fe, Co, Ni, Cu or Zn ; X = Cl or Br). Ab-initio X-ray powder
diffraction determination of polymeric [NiX2(Pydz)] complexes,"
N. Masciocchi, P. Cairati, L. Carlucci, G. Ciani, G. Mezza, N. Sironi,
J. Chem. Soc. 20 (1994) 3009-3018.

- "The multiphase nature of the Cu(pz) and Ag(pz) (Hpz=pyrazole)
systems: selective syntheses and ab-initio X-ray powder diffraction
structural characterization of copper(i) and silver(i) pyrazolates,"
N. Masciocchi, M. Moret, P. Cairati, A. Sironi, G.A. Ardizzoia &
G. LaMonica, J. Amer. Chem. Soc. 116 (1994) 7668-7677.

- "Determination of complex structures from powder diffraction data:
the crystal structure of La3Ti5Al15O37," R.E. Morris, J.J. Owen,
J.K. Stalick & A.K. Cheetham, J. Solid State Chem. 111 (1994) 52-57.

- "Crystal structure of silicon pyrophosphate (form I) from powder
diffraction data," D.M. Poojary, R.B. Borade, F.L. Campbell III &
A. Clearfield, J. Solid State Chem. 112 (1994) 106-112.

- "Crystal structure of sodium zirconium phosphate, Zr2(NaPO4)4.6H2O,
from X-ray powder diffraction data," S.M. Poojary, A. Clearfield,
Inorg. Chem. 33 (1994) 3685-3688.

- "Structure of a mixed phosphate/phosphonate layered zirconium
compound from synchrotron X-ray powder diffraction data," D.M.
Poojary, B. Zhang & A. Clearfield, Angew. Chem., Int. Ed. Engl.
33 (1994) 2324-2326.

- "Li6Zr2O7, a new anion vacancy ccp based structure, determined by
ab initio powder diffraction methods," I. Abrahams, P. Lightfoot &
P.G. Bruce, J. Solid State Chem. 104 (1993) 397-403.

- "The synthesis and ab initio structure determination of Zn4O(BO3)2,
a microporous zincoborate constructed of "fused" subunits of three-
and five-membered rings," W.T.A Harrison, T.H. Gier & G.D. Stucky,
Angew. Chem., Int. Ed. Engl. 32 (1993) 724-726.

- "Synthesis and structure of the novel layered oxide BiMo2O7OH.2H2O,"
J.A. Hriljac & C.C Torardi, Inorg. Chem. 32 (1993) 6003-6007.

- "Determination of crystal structures from limited powder data sets :
crystal structure of zirconium phenylphosphonate," M.D. Poojary,
H.-L. Hu, F.L. Campbell III & A. Clearfield, Acta Cryst. B49 (1993)
996-1001.

- "A remarkable change in framework cation position upon lithium
exchange: the crystal structure of LiMnPO4(OH)," M.A.G. Aranda,
J.P. Attfield & S. Bruque, Angew. Chem., Int. Ed. Engl. 31
(1992) 1090-1092.

- "Crystal structures of dehydrated VPI-5 and H1 aluminum phosphates
from X-ray powder data," D.M. Poojary, J.O. Perez & A. Clearfield,
J. Phys. Chem. 96 (1992) 7709-7714.

- "Application of the combined maximum entropy and likelihood method
to the ab initio determination of an organic crystal structure from
X-ray powder diffraction data," M. Tremayne, P. Lightfoot, C.
Glidewell, K.D.M. Harris, K. Shankland, C.J. Gilmore, G. Bricogne
& P.G. Bruce, J. Mater. Chem. 2 (1992) 1301-1302.

- "Ab initio structure determination of LiCF3SO3 from X-ray powder
diffraction data using entropy maximisation and likelihood ranking,"
M. Tremayne, P. Lightfoot, M.A. Mehta, P.G. Bruce, K.D.M. Harris,
K. Shankland, C.J. Gilmore & G. bricogne, J. Solid State Chem. 100
(1992) 191-196.

Armel Le Bail - armel@ONE.univ-lemans.fr