Crystallography Open Database

Information card for entry 4112969

Preview

Coordinates	4112969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	K6 P5 S20 Yb3
Calculated formula	K6 P5 S20 Yb3
Title of publication	Interwoven Pair of Open Frameworks in the Thiosphosphate K6Yb3(PS4)5
Authors of publication	Jennifer A. Aitken; Mercouri G. Kanatzidis
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	11780 - 11781
a	27.12 ± 0.003 Å
b	12.5509 ± 0.0012 Å
c	25.193 ± 0.003 Å
α	90°
β	118.94 ± 0.001°
γ	90°
Cell volume	7504.4 ± 1.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1381
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1666
Weighted residual factors for all reflections included in the refinement	0.1894
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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