The phases of CS3Bi2I9 between RT and 190 K

Citation
Av. Arakcheeva et al., The phases of CS3Bi2I9 between RT and 190 K, Z KRISTALL, 214(5), 1999, pp. 279-283
Citations number
6
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ZEITSCHRIFT FUR KRISTALLOGRAPHIE
ISSN journal
00442968 → ACNP
Volume
214
Issue
5
Year of publication
1999
Pages
279 - 283
Database
ISI
SICI code
0044-2968(1999)214:5<279:TPOCBR>2.0.ZU;2-C
Abstract
The structure of Cs3Bi2I9 has been refined to R = 0.0165 on the basis of X- ray diffraction measurements at T = 290 K (STOE IPDS diffractometer; MoKalp ha-radiation; 296 nonequivalent reflection with I > 2 sigma(I)). The absorp tion correction was accounted for by the Gaussian method. The parameters of the hexagonal unit cell are: a = 8.409(1) Angstrom and c = 21.243(5) Angst rom; space group P6(3)/mmc. The structure consists of identical perovskite- like layer fragments described by the general formula A(3)B(2)X(9) (A = Cs, B = Bi, X = I) With Ordered vacancies in the B-sublattice. These fragments alternate along the c-axis and are related by mirror planes which contains the shared faces of the BiI6 octahedra. The analysis of the intensities in the temperature range 288 K to 190 K indicates a reversible phase transiti on into a monoclinic phase at T = 218 K which is accompanied by twinning. N o satellite or superstructure reflections were observed with the current re solution of the diffractometer. The Xray results are compared wih the studi es of the temperature dependence of the linear expansion coefficients, opti cal characteristics, and the nuclear quadrupole spectra of Cs3Bi2I9.