Crystallography Open Database

Information card for entry 4517560

Preview

Coordinates	4517560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H5 Na3 Ni
Calculated formula	H5.0004 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	7.16905 ± 0.00016 Å
b	7.16905 ± 0.00016 Å
c	7.16905 ± 0.00016 Å
α	90°
β	90°
γ	90°
Cell volume	368.455 ± 0.014 Å³
Cell temperature	638 K
Ambient diffraction temperature	638 K
Number of distinct elements	3
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0641
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for all reflections	0.0836
Weighted residual factors for significantly intense reflections	0.0836
Goodness-of-fit parameter for all reflections	4.26
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.	4517560.cif
250543	2020-04-10	cif/ Adding structures of 4517560 via cif-deposit CGI script.	4517560.cif