Crystallography Open Database

Information card for entry 4002643

Preview

Coordinates	4002643.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	δ'-manganese borohydride
Chemical name	manganese ditetrahydroborate
Formula	B2 H8 Mn
Calculated formula	B2 H8 Mn
Title of publication	High-Pressure Study of Mn(BH4)2Reveals a Stable Polymorph with High Hydrogen Density
Authors of publication	Tumanov, Nikolay A.; Roedern, Elsa; Łodziana, Zbigniew; Nielsen, Dorrit B.; Jensen, Torben R.; Talyzin, Alexandr V.; Černý, Radovan; Chernyshov, Dmitry; Dmitriev, Vladimir; Palasyuk, Taras; Filinchuk, Yaroslav
Journal of publication	Chemistry of Materials
Year of publication	2016
Journal volume	28
Journal issue	1
Pages of publication	274
a	12.638 ± 0.015 Å
b	9.321 ± 0.01 Å
c	9.205 ± 0.017 Å
α	90°
β	90°
γ	90°
Cell volume	1084 ± 3 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Ambient diffracton pressure	11800000 kPa
Number of distinct elements	3
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor R(I) for significantly intense reflections	10.6194
Goodness-of-fit parameter for all reflections	53.85
Method of determination	powder diffraction
Diffraction radiation wavelength	0.7092 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270525 (current)	2021-11-08	cif/4/00/26/ Corrected the '_diffrn_ambient_pressure' data item value in entry 4002643 by changing it from 118 GPa to 11.8 GPa as specified in the original publication.	4002643.cif
175776	2016-02-04	cif/ Updating files of 4002641, 4002642, 4002643 Original log message: Adding full bibliography for 4002641--4002643.cif.	4002643.cif
171810	2016-01-01	cif/ Adding structures of 4002641, 4002642, 4002643 via cif-deposit CGI script.	4002643.cif