Crystallography Open Database

Information card for entry 4345610

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Coordinates	4345610.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Nickel tetraborate
Chemical name	NiB4O7
Formula	B4 Ni O7
Calculated formula	B4 Ni O7
Title of publication	Synthesis and Characterization of the High-Pressure Nickel Borate γ-NiB4O7.
Authors of publication	Schmitt, Martin K.; Janka, Oliver; Niehaus, Oliver; Dresselhaus, Thomas; Pöttgen, Rainer; Pielnhofer, Florian; Weihrich, Richard; Krzhizhanovskaya, Maria; Filatov, Stanislav; Bubnova, Rimma; Bayarjargal, Lkhamsuren; Winkler, Björn; Glaum, Robert; Huppertz, Hubert
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	7
Pages of publication	4217 - 4228
a	4.256 ± 0.002 Å
b	4.256 ± 0.002 Å
c	34.905 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	547.5 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	179
Hermann-Mauguin space group symbol	P 65 2 2
Hall space group symbol	P 65 2 (0 0 1)
Residual factor for all reflections	0.0183
Residual factor for significantly intense reflections	0.018
Weighted residual factors for significantly intense reflections	0.047
Weighted residual factors for all reflections included in the refinement	0.0471
Goodness-of-fit parameter for all reflections included in the refinement	1.219
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
194723 (current)	2017-04-04	cif/ Adding structures of 4345610 via cif-deposit CGI script.	4345610.cif