Crystallography Open Database

Information card for entry 4324085

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Structure parameters

Formula	Be F2
Calculated formula	Be F2
SMILES	[Be+2].[F-].[F-]
Title of publication	Single Crystal X-Ray Structure of BeF2: α-Quartz
Authors of publication	Ghalsasi, Pallavi; Ghalsasi, Prasanna S.
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Journal issue	1
Pages of publication	86 - 89
a	4.739 ± 0.0005 Å
b	4.739 ± 0.0005 Å
c	5.1875 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	100.89 ± 0.02 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	2
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.0187
Residual factor for significantly intense reflections	0.0186
Weighted residual factors for significantly intense reflections	0.0409
Weighted residual factors for all reflections included in the refinement	0.041
Goodness-of-fit parameter for all reflections included in the refinement	1.141
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
210951 (current)	2018-09-14	cif/ Updating bibliography in entries 4324085, 9015941. Marking entry 9015941 as a duplicate of entry 4324085.	4324085.cif
179343	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/40.	4324085.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324085.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4324085.cif
24376	2011-08-23	../uploads/cif-deposit/cod/cif Adding structures of 4324085 via cif-deposit CGI script.	4324085.cif