Crystallography Open Database

Information card for entry 7704690

Preview

Coordinates	7704690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ag2 As2 Cs2 S5
Calculated formula	Ag2 As2 Cs2 S5
Title of publication	Two new members in the quaternary Cs-Ag-As-S family with different arrangements of Ag-S and As-S asymmetric building units: syntheses, structures, and theoretical studies.
Authors of publication	Yan, Dongming; Xiao, Yu; Liu, Chang; Hou, Peipei; Chai, Wenxiang; Hosono, Hideo; Lin, Hua; Liu, Yi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	28
Pages of publication	9743 - 9750
a	7.49 ± 0.0015 Å
b	9.3 ± 0.0019 Å
c	9.94 ± 0.002 Å
α	63.28 ± 0.03°
β	82.11 ± 0.03°
γ	87.78 ± 0.03°
Cell volume	612.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0346
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0407
Weighted residual factors for all reflections included in the refinement	0.0427
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
254964 (current)	2020-08-06	cif/ Updating files of 7704690, 7704691 Original log message: Adding full bibliography for 7704690--7704691.cif.	7704690.cif
253390	2020-06-24	cif/ Adding structures of 7704690, 7704691 via cif-deposit CGI script.	7704690.cif