Crystallography Open Database

Information card for entry 4001959

4001958 << 4001959 >> 4001960

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Coordinates	4001959.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B4 Ca53 H23 In13
Calculated formula	B1.64 Ca52.68 H25.36 In13
Title of publication	Ca54In13B4–xH23+x: A Complex Metal Subhydride Featuring Ionic and Metallic Regions
Authors of publication	Blankenship, Trevor V.; Chen, Banghao; Latturner, Susan E.
Journal of publication	Chemistry of Materials
Year of publication	2014
Journal volume	26
Journal issue	10
Pages of publication	3202
a	16.3608 ± 0.0006 Å
b	16.3608 ± 0.0006 Å
c	16.3608 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4379.4 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	204
Hermann-Mauguin space group symbol	I m -3
Hall space group symbol	-I 2 2 3
Residual factor for all reflections	0.0171
Residual factor for significantly intense reflections	0.0165
Weighted residual factors for significantly intense reflections	0.0395
Weighted residual factors for all reflections included in the refinement	0.0397
Goodness-of-fit parameter for all reflections included in the refinement	1.142
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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