Crystallography Open Database

Information card for entry 4003030

Preview

Coordinates	4003030.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ni P2
Calculated formula	Ni P2
Title of publication	NiP2: A Story of Two Divergent Polymorphic Multifunctional Materials
Authors of publication	Owens-Baird, Bryan; Xu, Junyuan; Petrovykh, Dmitri Y.; Bondarchuk, Oleksandr; Ziouani, Yasmine; González-Ballesteros, Noelia; Yox, Philip; Sapountzi, Foteini M.; Niemantsverdriet, Hans; Kolen’ko, Yury V.; Kovnir, Kirill
Journal of publication	Chemistry of Materials
Year of publication	2019
Journal volume	31
Journal issue	9
Pages of publication	3407
a	6.3742 ± 0.0003 Å
b	5.6156 ± 0.0003 Å
c	5.6288 ± 0.0003 Å
α	90°
β	119.628 ± 0.002°
γ	90°
Cell volume	175.139 ± 0.016 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	2
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0184
Residual factor for significantly intense reflections	0.0179
Weighted residual factors for significantly intense reflections	0.0392
Weighted residual factors for all reflections included in the refinement	0.0394
Goodness-of-fit parameter for all reflections included in the refinement	1.228
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
220449 (current)	2019-10-29	cif/ Adding structures of 4003030 via cif-deposit CGI script.	4003030.cif