Crystallography Open Database

Information card for entry 1566037

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Coordinates	1566037.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Bredigite
Formula	Ca7 Mg O16 Si4
Calculated formula	Ca7 Mg O16 Si4
SMILES	[O-][Si]([O-])([O-])[O-].[Ca+2].[Ca+2].[Mg+2].[O-][Si]([O-])([O-])[O-].[Ca+2].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2]
Title of publication	Crystal Structure and Some Thermodynamic Properties of Ca7MgSi4O16-Bredigite
Authors of publication	Bao, Xinjian; He, Mingyue; Zhang, Zhigang; Liu, Xi
Journal of publication	Crystals
Year of publication	2020
Journal volume	11
Journal issue	1
Pages of publication	14
a	18.3434 ± 0.0017 Å
b	6.7313 ± 0.0008 Å
c	10.8844 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1344 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.0675
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1157
Weighted residual factors for all reflections included in the refinement	0.1289
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
272127 (current)	2022-01-19	cif/ Adding structures of 1566037 via cif-deposit CGI script.	1566037.cif