Crystallography Open Database

Information card for entry 7706347

Preview

Coordinates	7706347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl3 Cs0 La5 S9 Sb2
Calculated formula	Cl3 La5 S9 Sb2
Title of publication	Structural diversities in centrosymmetric La<sub>8</sub>S<sub>4</sub>Cl<sub>8</sub>La<sub>12</sub>S<sub>8</sub>Cl<sub>4</sub>[SbS<sub>3</sub>]<sub>8</sub> and non-centrosymmetric Ln<sub>12</sub>S<sub>8</sub>Cl<sub>8</sub>[SbS<sub>3</sub>]<sub>4</sub> (Ln = La and Ce): syntheses, crystal and electronic structures, and optical properties.
Authors of publication	Zhao, Hua-Jun; Liu, Peng-Fei; Wu, Li-Ming
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	6
Pages of publication	2075 - 2082
a	7.1286 ± 0.0005 Å
b	7.1593 ± 0.0006 Å
c	37.237 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1900.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.037
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1254
Goodness-of-fit parameter for all reflections included in the refinement	0.978
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
262638 (current)	2021-03-05	cif/ Updating files of 7706347, 7706348, 7706349 Original log message: Adding full bibliography for 7706347--7706349.cif.	7706347.cif
260870	2021-01-09	cif/ Adding structures of 7706347, 7706348, 7706349 via cif-deposit CGI script.	7706347.cif