Crystallography Open Database

Information card for entry 1576411

Preview

Coordinates	1576411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	O4 P0 Rb0.67 Sc0.67 Te1.33
Calculated formula	O4 Rb0.666667 Sc0.666667 Te1.33333
Title of publication	Tailoring ordered structures with distorted [TeO3] and aligned [ScO6] motifs for balanced nonlinear optical properties in rare-earth tellurate crystals
Authors of publication	Wang, Xiaoxu; Zhang, Tinghui; Zhao, Huijian; Jia, Ning; Liu, Hongjun; Ye, Ning; Hu, Zhanggui; Li, Conggang
Journal of publication	Chemical Science
Year of publication	2026
a	5.8371 ± 0.0003 Å
b	5.8371 ± 0.0003 Å
c	11.7832 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	347.69 ± 0.05 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	186
Hermann-Mauguin space group symbol	P 63 m c
Hall space group symbol	P 6c -2c
Residual factor for all reflections	0.0152
Residual factor for significantly intense reflections	0.0135
Weighted residual factors for significantly intense reflections	0.0354
Weighted residual factors for all reflections included in the refinement	0.0359
Goodness-of-fit parameter for all reflections included in the refinement	1.203
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1576411.html