Crystallography Open Database

Information card for entry 7718309

Preview

Coordinates	7718309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	I Pr3 S6.78 Se1.22 Si2
Calculated formula	I Pr3 S6.7784 Se1.2216 Si2
Title of publication	Synthesis of a Series of Rare-Earth-based Multi Anion Chalcogenide Iodides: RE3Si2SexS8-xI (RE = La, Ce, Pr, and Nd) Flux-Assisted Boron Chalcogen Mixture Method Crystal Growth and Characterization of Magnetic, Optical, and Photoluminescent Properties
Authors of publication	Panigrahi, Gopabandhu; Kashem, Habiba B.; Morrison, Gregory; Zur Loye, Hans-Conrad
Journal of publication	Dalton Transactions
Year of publication	2025
a	15.9823 ± 0.0004 Å
b	7.8496 ± 0.0001 Å
c	10.8814 ± 0.0002 Å
α	90°
β	97.698 ± 0.001°
γ	90°
Cell volume	1352.82 ± 0.05 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0083
Residual factor for significantly intense reflections	0.0081
Weighted residual factors for significantly intense reflections	0.0191
Weighted residual factors for all reflections included in the refinement	0.0191
Goodness-of-fit parameter for all reflections included in the refinement	1.264
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
298419 (current)	2025-03-13	cif/ Adding structures of 7718307, 7718308, 7718309, 7718310 via cif-deposit CGI script.	7718309.cif