Crystallography Open Database

Information card for entry 7126564

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Coordinates	7126564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	O4 Pb Si Sr
Calculated formula	O4 Pb Si Sr
Title of publication	PbSrSiO<sub>4</sub>: a new ultraviolet nonlinear optical material with a strong second harmonic generation response and moderate birefringence.
Authors of publication	Jiang, Shutong; Zhou, Jinjie; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	52
Pages of publication	7104 - 7107
a	5.7628 ± 0.0007 Å
b	7.2333 ± 0.0007 Å
c	9.7316 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	405.65 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0408
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0867
Weighted residual factors for all reflections included in the refinement	0.0917
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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