Crystallography Open Database

Information card for entry 7127999

Preview

Coordinates	7127999.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	O4 S3 Tm2 Zr2
Calculated formula	O4 S3 Tm2 Zr2
Title of publication	A series of oxysulfides RE<sub>2</sub>M<sub>2</sub>S<sub>3</sub>O<sub>4</sub> (RE = Y, Tm; M = Zr, Hf) featuring a unique MS<sub>3</sub>O<sub>4</sub> motif and {[M<sub>2</sub>S<sub>3</sub>O<sub>4</sub>]<sup>8-</sup>}<sub>\ιnfty </sub> wrinkle layer.
Authors of publication	Lu, Zhen-Tao; Yang, Si-Han; Liu, Wenlong; Guo, Sheng-Ping
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	28
Pages of publication	3500 - 3503
a	6.4784 ± 0.0007 Å
b	14.1361 ± 0.0016 Å
c	3.6618 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	335.35 ± 0.07 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	4
Space group number	55
Hermann-Mauguin space group symbol	P b a m
Hall space group symbol	-P 2 2ab
Residual factor for all reflections	0.0353
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0723
Weighted residual factors for all reflections included in the refinement	0.0742
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
264861 (current)	2021-05-05	cif/ Updating files of 7127998, 7127999, 7128000 Original log message: Adding full bibliography for 7127998--7128000.cif.	7127999.cif
262364	2021-03-03	cif/ Adding structures of 7127998, 7127999, 7128000 via cif-deposit CGI script.	7127999.cif