Crystallography Open Database

Information card for entry 7706153

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Coordinates	7706153.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	nickel diphosphate hydrate
Chemical name	dinickel diphosphate dihydrate
Formula	H4 Ni2 O9 P2
Calculated formula	H4 Ni2 O9 P2
Title of publication	Crystal structure and thermodynamic properties of dinickel diphosphate dihydrate Ni<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>[P<sub>2</sub>O<sub>7</sub>].
Authors of publication	Kiriukhina, Galina V.; Yakubovich, Olga V.; Shvanskaya, Larisa V.; Ovchenkov, Yevgeniy A.; Volkov, Anatoly S.; Dimitrova, Olga V.; Simonov, Sergey V.; Vasiliev, Alexander N.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	47
Pages of publication	17368 - 17374
a	6.2517 ± 0.0001 Å
b	13.7892 ± 0.0003 Å
c	7.2894 ± 0.0002 Å
α	90°
β	94.507 ± 0.002°
γ	90°
Cell volume	626.45 ± 0.02 Å³
Cell temperature	164 ± 2 K
Ambient diffraction temperature	164 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0191
Residual factor for significantly intense reflections	0.016
Weighted residual factors for significantly intense reflections	0.0383
Weighted residual factors for all reflections included in the refinement	0.0389
Goodness-of-fit parameter for all reflections included in the refinement	1.125
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
260002 (current)	2020-12-19	cif/ Adding structures of 7706153 via cif-deposit CGI script.	7706153.cif