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) using the flux-assisted boron–chalcogen mixture method
Authors of publication	Panigrahi, Gopabandhu; Kashem, Habiba Binte; Morrison, Gregory; zur Loye, Hans-Conrad
Journal of publication	Dalton Transactions
Year of publication	2025
Journal volume	54
Journal issue	15
Pages of publication	6252 - 6260
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
300922 (current)	2025-07-06	cif/ Updating files of 7718307, 7718308, 7718309, 7718310 Original log message: Adding full bibliography for 7718307--7718310.cif.	7718309.cif
298419	2025-03-13	cif/ Adding structures of 7718307, 7718308, 7718309, 7718310 via cif-deposit CGI script.	7718309.cif