Crystallography Open Database

Information card for entry 7246284

Preview

Coordinates	7246284.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Hf O6 Se2
Calculated formula	Hf O6 Se2
Title of publication	Shedding light on intrinsic characteristics and optical properties of novel selenite and tellurite crystals ZrSe2O6, HfSe2O6 and HfTe3O8
Authors of publication	Lv, Junai; Li, Qi; Guan, Xin; Lin, Na; Zhang, Jian; Jia, Zhitai; Tao, Xutang
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	11
Pages of publication	1675 - 1682
a	4.9425 ± 0.0002 Å
b	8.5794 ± 0.0003 Å
c	6.9325 ± 0.0002 Å
α	90°
β	110.1 ± 0.001°
γ	90°
Cell volume	276.059 ± 0.017 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0273
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.069
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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