Crystallography Open Database

Information card for entry 1576410

Preview

Coordinates	1576410.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	K0.67 O4 Sc0.67 Te1.33
Calculated formula	K0.666667 O4 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	5.7988 ± 0.0003 Å
b	5.7988 ± 0.0003 Å
c	11.5416 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	336.1 ± 0.04 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
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	0.0253
Residual factor for significantly intense reflections	0.0202
Weighted residual factors for significantly intense reflections	0.0451
Weighted residual factors for all reflections included in the refinement	0.047
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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