Crystallography Open Database

Information card for entry 1008445

Preview

Coordinates	1008445.cif
External links	AMCSD

Structure parameters

Chemical name	Zirconium nickel deuteride (2/1/2.23)
Formula	D2.23 Ni Zr2
Calculated formula	D2.228 Ni Zr2
Title of publication	Neutron diffraction studies of Zr~2~NiH(D)~x~ hydrides
Authors of publication	Chikdene, A; Baudry, A; Boyer, P; Miraglia, S; Fruchart, D; Soubeyroux, J L
Journal of publication	Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)
Year of publication	1989
Journal volume	163
Pages of publication	219 - 224
a	6.6573 ± 0.0002 Å
b	6.6573 ± 0.0002 Å
c	5.3862 Å
α	90°
β	90°
γ	90°
Cell volume	238.7 Å³
Number of distinct elements	3
Space group number	140
Hermann-Mauguin space group symbol	I 4/m c m
Hall space group symbol	-I 4 2c
Residual factor for all reflections	0.049
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
130149 (current)	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	1008445.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1008445.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	1008445.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	1008445.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1008445.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	1008445.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	1008445.cif