Crystallography Open Database

Information card for entry 7246282

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Coordinates	7246282.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	O6 Se2 Zr
Calculated formula	O6 Se2 Zr
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	4.9739 ± 0.0003 Å
b	8.6018 ± 0.0005 Å
c	6.952 ± 0.0005 Å
α	90°
β	110.177 ± 0.003°
γ	90°
Cell volume	279.18 ± 0.03 Å³
Cell temperature	289 ± 2 K
Ambient diffraction temperature	289 ± 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	0.0395
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.0883
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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