Crystallography Open Database

Information card for entry 2100258

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Coordinates	2100258.cif
Original IUCr paper	HTML

Structure parameters

Formula	Ca Cu Ge2 O6
Calculated formula	Ca Cu Ge2 O6
Title of publication	Structure of the clinopyroxene-type compound CaCuGe~2~O~6~ between 15 and 800K
Authors of publication	Redhammer, G. J.; Tippelt, G.; Merz, M.; Roth, G.; Treutmann, W.; Amthauer, G.
Journal of publication	Acta Crystallographica Section B
Year of publication	2005
Journal volume	61
Journal issue	4
Pages of publication	367 - 380
a	10.2405 ± 0.0012 Å
b	9.178 ± 0.0008 Å
c	5.4003 ± 0.0007 Å
α	90°
β	107.072 ± 0.011°
γ	90°
Cell volume	485.19 ± 0.1 Å³
Cell temperature	729 ± 2 K
Ambient diffraction temperature	873 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 significantly intense reflections	0.026
Weighted residual factors for all reflections included in the refinement	0.052
Goodness-of-fit parameter for all reflections included in the refinement	0.937
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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