Crystallography Open Database

Information card for entry 7711805

Preview

Coordinates	7711805.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Barium Iron silver sulphur (4-1-1-6)
Formula	Ag Ba4 Fe S6
Calculated formula	Ag Ba4 Fe S6
Title of publication	Ba<sub>4</sub>FeAgS<sub>6</sub>: a new antiferromagnetic and semiconducting quaternary sulfide.
Authors of publication	Panigrahi, Gopabandhu; Yadav, Sweta; Jana, Subhendu; Ramanujachary, K. V.; Niranjan, Manish K.; Prakash, Jai
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	3
Pages of publication	621 - 634
a	8.6367 ± 0.0005 Å
b	12.0291 ± 0.0007 Å
c	13.251 ± 0.0007 Å
α	90°
β	109.015 ± 0.002°
γ	90°
Cell volume	1301.55 ± 0.13 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0161
Residual factor for significantly intense reflections	0.0155
Weighted residual factors for significantly intense reflections	0.0341
Weighted residual factors for all reflections included in the refinement	0.0343
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283341 (current)	2023-05-05	cif/ Updating files of 7711805 Original log message: Adding full bibliography for 7711805.cif.	7711805.cif
279370	2022-11-18	cif/ Adding structures of 7711805 via cif-deposit CGI script.	7711805.cif