Crystallography Open Database

Information card for entry 7115033

Preview

Coordinates	7115033.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Bi9.63 Cs1.11 Se15
Calculated formula	Bi9.63 Cs1.109 Se15
Title of publication	Cs1‒xSn1‒xBi9+xSe15 and Cs1.5‒3xBi9.5+xSe15: members of the homologous superseries Am[M1+lSe2+l]2m[M1+2l+nSe3+3l+n] (A = alkali metal, M = Sn and Bi) allowing structural evolution in three different dimensions
Authors of publication	Mrotzek, Antje; Iordanidis, Lykourgos; Kanatzidis, Mercouri G.
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	17
Pages of publication	1648
a	27.547 ± 0.009 Å
b	4.162 ± 0.0013 Å
c	14.132 ± 0.005 Å
α	90°
β	103.35 ± 0.006°
γ	90°
Cell volume	1576.5 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0642
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1423
Weighted residual factors for all reflections included in the refinement	0.1499
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180264 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/50.	7115033.cif
118494	2014-06-30	cif/ Adding structures of 7115033, 7115034 via cif-deposit CGI script.	7115033.cif