Crystallography Open Database

Information card for entry 1562501

Preview

Coordinates	1562501.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	praseodymium iron indium sulphide (3/1/1/7)
Chemical name	praseodymium iron indium sulphide (3/1/1/7)
Formula	Fe In Pr3 S7
Calculated formula	Fe In Pr3 S7
Title of publication	Rare-earth transition-metal indium sulphides RE3FeInS7 (RE=La‒Pr), RE3CoInS7 (RE=La, Ce), and La3NiInS7
Authors of publication	Rudyk, Brent W.; Stoyko, Stanislav S.; Mar, Arthur
Journal of publication	Journal of Solid State Chemistry
Year of publication	2013
Journal volume	208
Pages of publication	78 - 85
a	9.951 ± 0.0005 Å
b	9.951 ± 0.0005 Å
c	6.2593 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	536.77 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0178
Residual factor for significantly intense reflections	0.0159
Weighted residual factors for significantly intense reflections	0.0345
Weighted residual factors for all reflections included in the refinement	0.0351
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
265101 (current)	2021-05-11	cif/ Adding structures of 1562499, 1562500, 1562501, 1562502, 1562503 via cif-deposit CGI script.	1562501.cif