X-ray powder diffraction as a tool for facing twins: the case of the monoclinic NbCoTe2 and TaCoTe2 phases, J.Li, F.McCulley, S.L.McDonnell, N.Masciocchi, D.M.Proserpio and A.Sironi, Inorg.Chem., (1993), 32, 4829.
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.
Li6Zr2O7, C2/c, C1=8, Nc=22, C2=1, XC1+N / TREOR, GSAS, EQUI, GSAS
(PATT), GSAS, GSAS
C- A single-crystal X-ray diffraction study of lithium zirconate,
Li6Zr2O7, a solid-state ionic conductor, M. Zocchi, I. Natali Sora, L.
E. Depero & R. S. Roth, J. Solid State Chem. 104 (1993) 391-396.
Crystal structure of a new oxyfluoride, Cd4F6O : relations to the fluorite
and the beta-Bi2O3 types, A. Aftati, J.-C. Champarnaud-Mesjard & B.
Frit, Eur. J. Solid State Inorg. Chem. 30 (1993) 1063-1073.
Cd4F6O, P42/nmc, C1=4, Nc=5, C2=1, XC12 / ANALOGY, ARITB, EQUI, ANALOGY,
SHELX-76, ARIT4
Synthesis, characterization, and crystal structure of three homoleptic
copper(I) thiolates: (Cu(CH3S-))n, [(C6H5)4P+]2[Cu5(CH3S-)7].C2H6O2, and
[(C3H7)4N+]2[Cu4(CH3S-)6].CH4O, M. Baumgartner, H. Schmalle and C. Baerlocher,
J. Solid State Chem. 107 (1993) 63-75.
(Cu(CH3S-))n, P42/m, C1=3, Nc=6, C2=2, XC1 / ITO, EXTRACT, EQUI, ?
(PATT), XRS82+?, XRS82
The Structure of Solid CF3I, S.J. Clarke, J.K. Cockcroft & A.N.
Fitch, Z. Kristallogr. 206 (1993) 87-95.
CF3I, Cmca, C1=4, Nc=9, C2=MM, N / FZON, ALLHKL, EQUI, MM, MM, PROFIL
The ab initio crystal structure determination of alpha-malonic acid
from neutron powder diffraction data, R.G. Delaplane, W.I.F. David, R.M.
Ibberson and C.C. Wilson, Chem. Phys. Letters 201 (1993) 75-78.
COOD(CD2)COOD, Pmmm, C1=6, Nc=16, C2=5, N / ITO, CAILS, EQUI, MITHRIL
(DM), REFINE+?, REFINE
Crystal and Molecular Structure of a Metastable Modification of Phosphorus
Pentachloride, A. Finch, A.N. Fitch & P.N. Gates, J. Chem. Soc. Chem.
Commun. (1993) 957-958.
Metastable Pcl5, I2/m, C1=8, Nc= ,C2=G, Sync / FZON, .........GUESSED.......,
PROFIL
The Crystal Structure of Norbornane, A.N. Fitch & H. Jobic, J. Chem.
Soc. Chem. Commun. (1993) 1516-1517.
C7H12, P21/m , C1=11, Nc= , C2=MM, Sync / FZON, ......CERIUS......,
MPROF
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.
Zn4O(BO3)2, R-3c, C1=5, Nc=9, C2=2, XC1 / BH, GSAS, EQUI, SHELXS (DM),
GSAS, GSAS
Synthesis and structure of the novel layered oxide BiMo2O7OH.2H2O, J.A.
Hriljac & C.C Torardi, Inorg. Chem. 32 (1993) 6003-6007.
BiMo2O7OH.2H2O, P21/m , C1=8, Nc=21, C2=2, XC12+XC1+Sync / ITO, LMRH,
EQUI, SHELXS (DM), GSAS, GSAS
Synthesis and crystal structure of Li8Bi2PdO10 determined ab initio
from X-ray powder diffraction data, Y. Laligant & A. Le Bail, Eur.
J. Solid State Inorg. Chem. 30 (1993) 689-698.
Li8Bi2PdO10, C2/m, C1=11, Nc=20, C2=1,
XC12 / TREOR, ARITB, EQUI, SHELX-76 (DM), SHELX-76+ARIT4, FULLP
Beta-Ba3AlF9, a complex structure determined from conventional X-ray
powder diffraction, A. Le Bail, J. Solid State Chem. 103, (1993) 287-291.
Beta-Ba3AlF9, Pnc2, C1=29, Nc=74, C2=7,
XC12 / KNOWN, ARITB, EQUI, SHELXS (DM), SHELX-76+ARIT4, ARIT4
Preparation and structure of CuII(C2H5PO3). Structural transition between
its hydrated and dehydrated forms, J. Le Bideau, B. Bujoli, A. Jouanneaux,
C. Payen, P. Palvadeau & J. Rouxel, Inorg. Chem. 32 (1993) 4617-4620.
CuII(C2H5PO3), P21/c, C1=7, Nc=21, C2=4, XC1 / DICVOL91, MPROF, EQUI,
SHELXS (DM), ?+MPROF, MPROF
Synchrotron high resolution powder study of molecular packing in hydrate
calcium stearate, P. Lelann & J.-F. Berar, Mat. Res. Bull. 28 (1993)
329-336.
(CH3(CH2)16COO)2CaH2O, P21/c, C1=42, Nc=126, C2=MB, Sync / ?, ............MB..............,
XND
Crystal structure of the polymer electrolyte poly(ethylene oxide)3:LiCF3SO3,
P. Lightfoot, M.A. Mehta, P.G. Bruce, Science 262 (1993) 883-885.
PEO3:LiCF3SO3, P21/a, C1=18, Nc=54, C2=A, XC1 / TREOR, .....ANALOGY.....
,GSAS, GSAS
Investigation and rationalisation of hydrogen bonding patterns in sulfonylamino
compounds and related materials: crystal structure determination of microcrystalline
solids from powder X-ray diffraction data, P. Lightfoot, M. Tremayne, C.
Glidewell, K.D.M. Harris & P.G. Bruce, J. Chem. Soc. Perkin Trans.
2 (1993) 1625-1630.
PhSO2NHNH2, P21/c, C1=11, Nc=33, C2=1, XC1 / TREOR, LBM, EQUI, SIR88
(DM), ?, ?
Ab initio XRPD structure determination of metal carbonyl clusters :
the case of [HgRu(CO)4]4, N. Masciocchi, P. Cairati, F. Ragaini & A.
Sironi, Organometallics, 12 (1993) 4499-4502
[HgRu(CO)4]4, P21/n, C1=20, Nc=60, C2=MM, XC12 / TREOR, WPPF, PART,
P-RISCON+SIRPOW, ?, PREFIN
Solving simple organometallic structures solely from X-ray powder diffraction
data: the case of polymeric [{Ru(CO)4}n], N. Masciocchi, M. Moret, P. Cairati,
F. Ragaini & A. Sironi, J. Chem. Soc. Dalton Trans (1993) 471-475.
[{Ru(CO)4}n], Ibam, C1=5, Nc=8, C2=1, XC12 / TREOR, POWLS, ...MB..
, DBW3.2
Ca0.2NaO.9Fe2.9O5: a new Me4O5 structure type. W.G. Mumme, J. Solid
State Chem. 105 (1993) 528-534.
Ca0.2Na0.9Fe2.9O5, Pnnm, C1=10, Nc=16, C2=4, XC12 / ITO, ?, PART, SHELX-76
(PATT), SHELX-76+?, ?
Ab initio crystal structure determination of dihydrated copper(II) 5-sulfonic-8-quinolinolato
complex (form I) from X-ray powder diffraction data. Filiations with related
copper(II) sulfoxinates, S. Petit, G. Coquerel, G. Perez, D. Louer &
M. Louer, New. J. Chem. 17 (1993) 187-192.
C9H5O4NSCu.2H2O, P-1, C1=18, Nc=54, C2=2, XC1 / DICVOL91, FULLP, EQUI,
MULTAN (DM), FULLP+?, FULLP
Structural characterization of silicon orthophosphate, D.M. Poojary,
R.B. Borade & A. Clearfield, Inorganica Chimica Acta, 208 (1993) 23-29.
Si5O(PO4)6, R-3, C1=9, Nc=17, C2=4, XC12 / TREOR, PD, PART, SHELXS-86
(PATT), GSAS, GSAS
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.
Zr(O3PC6H5)2, C2/c, C1=11, Nc=30, C2=2, Sync / ED+ANALOGY, PD, PART,
? (PATT), GSAS, GSAS
Structural aspects of oligothienyl series from X-ray powder diffraction
data, W. Porzio, S. Destri, M. Mascherpa and S. Bruckner, Acta Polymer.
44 (1993) 266-272.
S4C16 (T4), P21/a, C1=20, Nc=60, C2=G, XX12 / TREOR, ..... GUESSED
+ MNDO ................... , ?
S5C20 (T5), P21/a, C1=25, Nc=75, C2=G, XC12 / TREOR, ..... GUESSED
+ MNDO ................... , ?
S6C24 (T6), P21/a, C1=30, Nc=90, C2=G, XC12 / TREOR, ..... GUESSED
+ MNDO ................... , ?
See also : Synthetic Metals, 55-57 (1993) 408-413.
alb@cristal.org