Crystallography Open Database

Information card for entry 4517558

Preview

Coordinates	4517558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H5 Na3 Ni
Calculated formula	H5 Na3 Ni
Title of publication	Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH<sub>5</sub>]<sup>3-</sup><i>Versus</i> the Perovskite NaNiH<sub>3</sub>.
Authors of publication	Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich
Journal of publication	ACS omega
Year of publication	2020
Journal volume	5
Journal issue	15
Pages of publication	8730 - 8743
a	7.3444 ± 0.0009 Å
b	6.8828 ± 0.0009 Å
c	7.2247 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	365.21 ± 0.08 Å³
Cell temperature	593 K
Ambient diffraction temperature	593 K
Number of distinct elements	3
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0871
Residual factor for significantly intense reflections	0.0835
Weighted residual factors for all reflections	0.0879
Weighted residual factors for significantly intense reflections	0.0878
Goodness-of-fit parameter for all reflections	4.49
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.22542 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
251429 (current)	2020-05-04	cif/ Updating files of 4517557, 4517558, 4517559, 4517560, 4517561 Original log message: Adding full bibliography for 4517557--4517561.cif.	4517558.cif
250541	2020-04-10	cif/ Adding structures of 4517558 via cif-deposit CGI script.	4517558.cif