Crystallography Open Database

Information card for entry 7220742

7220741 << 7220742 >> 7220743

Preview

Coordinates	7220742.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Potassium Copper Germanium
Formula	Cu2.94 Ge43.06 K7.69
Calculated formula	Cu2.94 Ge43.06 K7.688
Title of publication	Type-I Clathrates of K7.69(2)Cu2.94(6)Ge43.06(6) and Rb8Ag2.79(4)Ge43.21(4)
Authors of publication	Zhang, Hui; Xu, Xuguang; Li, Wei; Mu, Gang; Huang, Fu Qiang; Xie, Xiaoming
Journal of publication	RSC Adv.
Year of publication	2015
a	10.70783 ± 0.00003 Å
b	10.70783 ± 0.00003 Å
c	10.70783 ± 0.00003 Å
α	90°
β	90°
γ	90°
Cell volume	1227.73 ± 0.006 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	3
Space group number	223
Hermann-Mauguin space group symbol	P m -3 n
Hall space group symbol	-P 4n 2 3
Residual factor for all reflections	0.0933
RFsqd	0.0334
Residual factor R(I) for significantly intense reflections	0.0578
Goodness-of-fit parameter for all reflections	1.135
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	7220742.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7220742.cif
139038	2015-06-10	cif/ Adding structures of 7220742, 7220743 via cif-deposit CGI script.	7220742.cif