Crystallography Open Database

Information card for entry 4313804

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Coordinates	4313804.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As1.33 H1.68 Ni2.16 O6.33
Calculated formula	As1.33333 Ni2.16233 O6.33333
Title of publication	A Hybrid Metalloarsenate 3D Framework-1D Interrupted Metal Oxide
Authors of publication	Robert W. Hughes; Lee A. Gerrard; Daniel J. Price; Mark T. Weller
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	4160 - 4164
a	12.7021 ± 0.0018 Å
b	12.7021 ± 0.0018 Å
c	4.9966 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	698.2 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	186
Hermann-Mauguin space group symbol	P 63 m c
Hall space group symbol	P 6c -2c
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0955
Weighted residual factors for all reflections included in the refinement	0.0976
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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