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Titolo:
X-RAY STUDY OF CSCDI3-CENTER-DOT-H2O
Autore:
SJOVALL R; SVENSSON C; LIDIN S;
Indirizzi:
LUND UNIV,CTR CHEM,DEPT INORGAN CHEM 2,POB 124 S-22100 LUND SWEDEN
Titolo Testata:
Zeitschrift fur Kristallographie
fascicolo: 4, volume: 211, anno: 1996,
pagine: 234 - 237
SICI:
0044-2968(1996)211:4<234:XSOC>2.0.ZU;2-4
Fonte:
ISI
Lingua:
ENG
Soggetto:
CRYSTALS;
Keywords:
SINGLE CRYSTAL STRUCTURE;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
28
Recensione:
Indirizzi per estratti:
Citazione:
R. Sjovall et al., "X-RAY STUDY OF CSCDI3-CENTER-DOT-H2O", Zeitschrift fur Kristallographie, 211(4), 1996, pp. 234-237

Abstract

Structure determination at 295 K on a single crystal of cesium triiodocadmiate hydrate, CsCdI3 . H2O, was performed on a CAD-4 diffractometer with MoKalpha radiation. The crystal structure is monoclinic, spacegroup Pc, with a = 9000(1) Angstrom, b = 7.565(1) Angstrom, c = 14.970(3) Angstrom, beta = 90.47(1)degrees, V = 1019.3(2) Angstrom(3), Z = 4, D-x = 4.197(1) cm(-3), mu = 145.5 cm(-1), F(000) = 1088. A final least-squares refinement resulted in an R value of 0.041 for 1736 uniqueobserved reflections with I > 3 sigma(1). The positions of H atoms were not determined. CsCdI3 . H2O is built up from one-dimensional chains of corner-sharing CdI4 tetrahedra running along [100]. The bridging Cd-I distances are in the range 2.84 Angstrom-2.86 Angstrom, while non-bridging Cd-I bonds are 2.73 Angstrom-2.74 Angstrom. The Cs atoms areten coordinate with two water molecules at 3.04 Angstrom-3.14 Angstrom and eight I atoms at 3.83 Angstrom-4.55 Angstrom. The Cs coordination is described as a deformation of a centaur polyhedron based on the cube and the icosahedron. There are pseudo-mirror planes parallel to (100) and pseudo 2(1) axes parallel to [001], corresponding to the orthorhombic space group Pmc2(1). The Cd atoms and two thirds of the I atoms are in the pseudo-mirror planes. However, the pseudo symmetry relates Cs atoms with water molecules.

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Documento generato il 10/07/20 alle ore 12:02:36