Crystallography Open Database

Information card for entry 7200685

7200684 << 7200685 >> 7200686

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Coordinates	7200685.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Calcium deuteride
Formula	Ca D2
Calculated formula	Ca D1.913
Title of publication	Structural and electrical properties of calcium and strontium hydrides
Authors of publication	Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T. S.
Journal of publication	Journal of Materials Chemistry
Year of publication	2009
Journal volume	19
Journal issue	18
Pages of publication	2766
a	5.94547 ± 0.00008 Å
b	3.59174 ± 0.00005 Å
c	6.79969 ± 0.00011 Å
α	90°
β	90°
γ	90°
Cell volume	145.205 ± 0.004 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	2
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor R(I) for significantly intense reflections	4.7725
Method of determination	powder diffraction
Diffraction radiation probe	neutron
Diffraction radiation wavelength	1.90946 Å
Diffraction radiation type	ConstantWavelengthNeutronDiffraction
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7200685.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7200685.cif
106285	2014-03-15	cod/ (saulius@kolibris) Adding the '_diffrn_radiation_probe neutron' data item to those COD CIFs that declared neuron radiation in their _diffrn_radiation_type data field, and did not have a _diffrn_radiation_probe item yet: codsql 'select file from data where radiation is null and radType like "%neutron%"' -NB \ \| codid2file \ \| xargs -i sh -c 'test -f {} && ( set -x; echo _diffrn_radiation_probe neutron >> {} )' Two files that had no newlines at the end were fixed manually.	7200685.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7200685.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7200685.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7200685.cif