Crystallography Open Database

Information card for entry 7703998

Preview

Coordinates	7703998.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ag2 Ba6 Mn S16 Sn4
Calculated formula	Ag1.9998 Ba6 Mn0.9999 S16 Sn4
Title of publication	Non-centrosymmetric sulfides A<sub>2</sub>Ba<sub>6</sub>MnSn<sub>4</sub>S<sub>16</sub> (A = Li, Ag): syntheses, structures and properties.
Authors of publication	Duan, Ruihuan; Lin, Hua; Wang, Yue; Zhou, Yuqiao; Wu, Liming
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	18
Pages of publication	5914 - 5920
a	14.7064 ± 0.0006 Å
b	14.7064 ± 0.0006 Å
c	14.7064 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3180.7 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	220
Hermann-Mauguin space group symbol	I -4 3 d
Hall space group symbol	I -4bd 2c 3
Residual factor for all reflections	0.0093
Residual factor for significantly intense reflections	0.0093
Weighted residual factors for significantly intense reflections	0.0232
Weighted residual factors for all reflections included in the refinement	0.0232
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
252823 (current)	2020-06-05	cif/ Updating files of 7703998, 7703999 Original log message: Adding full bibliography for 7703998--7703999.cif.	7703998.cif
250481	2020-04-08	cif/ Adding structures of 7703998, 7703999 via cif-deposit CGI script.	7703998.cif