Crystallography Open Database

Information card for entry 4000985

Preview

Coordinates	4000985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B2 H8 Mg
Calculated formula	B2 H8 Mg
Title of publication	Insight into Mg(BH4)2with Synchrotron X-ray Diffraction: Structure Revision, Crystal Chemistry, and Anomalous Thermal Expansion
Authors of publication	Filinchuk, Yaroslav; Černý, Radovan; Hagemann, Hans
Journal of publication	Chemistry of Materials
Year of publication	2009
Journal volume	21
Journal issue	5
Pages of publication	925
a	10.354 ± 0.0012 Å
b	10.354 ± 0.0012 Å
c	37.055 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	3440.3 ± 0.7 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	3
Space group number	178
Hermann-Mauguin space group symbol	P 61 2 2
Hall space group symbol	P 61 2 (0 0 5)
Residual factor for all reflections	0.0445
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.0952
Goodness-of-fit parameter for all reflections included in the refinement	1.18
Diffraction radiation wavelength	0.77029 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4000985.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000985.cif
38863	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4000985 via cif-deposit CGI script.	4000985.cif