Crystallography Open Database

Information card for entry 7706349

Preview

Coordinates	7706349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ce3 Cl2 S5 Sb
Calculated formula	Ce3 Cl2 S5 Sb
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	22.066 ± 0.002 Å
b	7.0323 ± 0.0007 Å
c	7.0889 ± 0.0009 Å
α	90°
β	98.95 ± 0.007°
γ	90°
Cell volume	1086.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0246
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0575
Weighted residual factors for all reflections included in the refinement	0.0584
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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.	7706349.cif
260870	2021-01-09	cif/ Adding structures of 7706347, 7706348, 7706349 via cif-deposit CGI script.	7706349.cif