Crystallography Open Database

Information card for entry 8103065

Preview

Coordinates	8103065.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ca7 F3 K O12 Si3
Calculated formula	Ca7 F3 K O12 Si3
Title of publication	Ca5.45Li3.55[SiO4]3O0.45F1.55 and Ca7K[SiO4]3F3: single-crystal synthesis and structures of two trigonal oxyfluorides
Authors of publication	Krüger, Hannes
Journal of publication	Zeitschrift für Kristallographie - Crystalline Materials
Year of publication	2010
Journal volume	225
Journal issue	10
Pages of publication	418 - 424
a	10.8161 ± 0.0005 Å
b	10.8161 ± 0.0005 Å
c	6.6469 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	673.43 ± 0.05 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	159
Hermann-Mauguin space group symbol	P 3 1 c
Hall space group symbol	P 3 -2c
Residual factor for all reflections	0.0184
Residual factor for significantly intense reflections	0.0183
Weighted residual factors for significantly intense reflections	0.0235
Weighted residual factors for all reflections included in the refinement	0.0235
Goodness-of-fit parameter for significantly intense reflections	2.11
Goodness-of-fit parameter for all reflections included in the refinement	2.11
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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