Crystallography Open Database

Information card for entry 7718871

Preview

Coordinates	7718871.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ga3 Ge2 Nd3 O10 S3
Calculated formula	Ga3 Ge2 Nd3 O10 S3
Title of publication	Flux crystal growth, structure, and optical properties of non-centrosymmetric oxysulfides Ln<sub>3</sub>Ga<sub>3</sub>Ge<sub>2</sub>S<sub>3</sub>O<sub>10</sub> (Ln = La, Ce, Pr, Nd).
Authors of publication	Yan, Hong; Fujii, Kotaro; Matsushita, Yoshitaka; Yashima, Masatomo; Yamaura, Kazunari; Tsujimoto, Yoshihiro
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	26
Pages of publication	10433 - 10440
a	10.0682 ± 0.0005 Å
b	10.0682 ± 0.0005 Å
c	7.3802 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	647.89 ± 0.06 Å³
Cell temperature	294 K
Ambient diffraction temperature	294 K
Number of distinct elements	5
Space group number	190
Hermann-Mauguin space group symbol	P -6 2 c
Hall space group symbol	P -6c -2c
Residual factor for all reflections	0.0214
Residual factor for significantly intense reflections	0.019
Weighted residual factors for significantly intense reflections	0.0328
Weighted residual factors for all reflections included in the refinement	0.0334
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation probe	x-ray
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
300790 (current)	2025-07-06	cif/ Updating files of 7718868, 7718869, 7718870, 7718871 Original log message: Adding full bibliography for 7718868--7718871.cif.	7718871.cif
300062	2025-06-13	cif/ Adding structures of 7718868, 7718869, 7718870, 7718871 via cif-deposit CGI script.	7718871.cif