Crystallography Open Database

Information card for entry 1572820

Preview

Coordinates	1572820.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	N O6 Sb Te
Calculated formula	N O6 Sb Te
Title of publication	Fully tricoordinated assembly unveils a pioneering nonlinear optical crystal (SbTeO<sub>3</sub>)(NO<sub>3</sub>).
Authors of publication	Zhang, Bo; Hu, Chun-Li; Mao, Jiang-Gao; Kong, Fang
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	44
Pages of publication	18549 - 18556
a	7.6159 ± 0.0015 Å
b	8.6763 ± 0.0013 Å
c	7.9574 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	525.81 ± 0.15 Å³
Cell temperature	296.32 ± 0.1 K
Ambient diffraction temperature	296.32 ± 0.1 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0765
Weighted residual factors for all reflections included in the refinement	0.0797
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
296361 (current)	2024-12-06	cif/ Updating files of 1572820 Original log message: Adding full bibliography for 1572820.cif.	1572820.cif
295401	2024-10-10	cif/ Adding structures of 1572820 via cif-deposit CGI script.	1572820.cif