Crystallography Open Database

Information card for entry 7708895

Preview

Coordinates	7708895.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cu4MnGe2S7
Chemical name	tetracopper manganese digermanium heptasulfide
Formula	Cu4 Ge2 Mn S7
Calculated formula	Cu4 Ge2 Mn S7
Title of publication	Cu4MnGe2S7 and Cu2MnGeS4: two polar thiogermanates exhibiting second harmonic generation in the infrared and structures derived from hexagonal diamond
Authors of publication	Glenn, Jennifer R.; Cho, Jeong Bin; Wang, Yiqun; Craig, Andrew J.; Zhang, Jian-Han; Cribbs, Marvene; Stoyko, Stanislav S.; Rosello, Kate E.; Barton, Christopher; Bonnoni, Allyson; Grima-Gallardo, Pedro; MacNeil, Joseph H.; Rondinelli, James M.; Jang, Joon I.; Aitken, Jennifer A.
Journal of publication	Dalton Transactions
Year of publication	2021
a	16.7332 ± 0.0003 Å
b	6.476 ± 0.0001 Å
c	9.8022 ± 0.0002 Å
α	90°
β	93.1517 ± 0.0009°
γ	90°
Cell volume	1060.6 ± 0.03 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0223
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.0521
Weighted residual factors for all reflections included in the refinement	0.0551
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
270765 (current)	2021-11-20	cif/ Adding structures of 7708895 via cif-deposit CGI script.	7708895.cif