Crystallography Open Database

Information card for entry 7248138

Preview

Coordinates	7248138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba2 Mn S3
Calculated formula	Ba2 Mn S3
Title of publication	Crystal growth of ternary metal sulfides from an open melt: Ba2MnS3
Authors of publication	Moore, Benjamin J.; Cui, Z. X.; Liu, Y.; Gutmann, Matthias J.; Teather, E. N.; Orlandi, Fabio; Balz, Christian; Manuel, Pascal; Perry, R. S.
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	10
Pages of publication	1444 - 1452
a	8.824 ± 0.0001 Å
b	4.3415 ± 0.0001 Å
c	17.1357 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	656.458 ± 0.019 Å³
Cell temperature	25 K
Ambient diffraction temperature	25 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0699
Residual factor for significantly intense reflections	0.0699
Weighted residual factors for significantly intense reflections	0.1067
Weighted residual factors for all reflections included in the refinement	0.1067
Goodness-of-fit parameter for significantly intense reflections	1.4
Goodness-of-fit parameter for all reflections included in the refinement	1.4
Diffraction radiation probe	neutron
Diffraction radiation type	neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290879 (current)	2024-04-05	cif/ Updating files of 7248137, 7248138 Original log message: Adding full bibliography for 7248137--7248138.cif.	7248138.cif
289811	2024-02-14	cif/ Adding structures of 7248138 via cif-deposit CGI script.	7248138.cif