Crystallography Open Database

Information card for entry 7201322

7201321 << 7201322 >> 7201323

Preview

Coordinates	7201322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	?
Calculated formula	B8 H24 Mg4
Title of publication	A new phase in the decomposition of Mg(BH4)2: first-principles simulated annealing
Authors of publication	van Setten, M. J.; Lohstroh, W.; Fichtner, M.
Journal of publication	Journal of Materials Chemistry
Year of publication	2009
Journal volume	19
Journal issue	38
Pages of publication	7081
a	7.91600013613817 ± 0.00000000000001 Å
b	7.71600840240524 ± 0.00000000000001 Å
c	8.74712004522751 ± 0.00000000000001 Å
α	93.7741 ± 0.0000000000001°
β	87.8294 ± 0.000000000001°
γ	87.1732 ± 0.0000000000001°
Cell volume	532.013 ± 0.0000000000012 Å³
Number of distinct elements	3
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Method of determination	theoretical
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
183979 (current)	2016-06-27	cif/7/20/13/ Marking entries 7201318--7201322 as theoretical according to the original publication.	7201322.cif
180344	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/13.	7201322.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7201322.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7201322.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7201322.cif