Crystallography Open Database

Information card for entry 1518834

Preview

Coordinates	1518834.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B10 D10 Li2
Calculated formula	B10 D10 Li2
SMILES	[B]123([B]456([B]781([B]19%10([B]%11%12([B]489([B]46%11([B]635([B]271([B]%10%1246[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H].[Li+].[Li+]
Title of publication	Structural Behavior of Li2B10H10
Authors of publication	Wu, Hui; Tang, Wan Si; Stavila, Vitalie; Zhou, Wei; Rush, John J.; Udovic, Terrence J.
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2015
Pages of publication	150312100216002
a	7.01187 ± 0.00014 Å
b	7.01187 Å
c	14.8008 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	630.21 ± 0.02 Å³
Cell temperature	7 K
Ambient diffraction temperature	7 K
Number of distinct elements	3
Space group number	181
Hermann-Mauguin space group symbol	P 64 2 2
Hall space group symbol	P 64 2 (0 0 2)
RFsqd	0.03857
Goodness-of-fit parameter for all reflections	1.06
Method of determination	powder diffraction
Diffraction radiation probe	neutron
Diffraction radiation wavelength	1.5398 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
215051 (current)	2019-05-13	cif/1 Fixing Z values and formulae	1518834.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518834.cif
133873	2015-03-13	cif/ Adding structures of 1518834 via cif-deposit CGI script.	1518834.cif