Crystallography Open Database

Information card for entry 7064286

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Coordinates	7064286.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B15 K7 Mg O30 Y2
Calculated formula	B15 K7 Mg O30 Y2
Title of publication	K7MgY2(B5O10)3: a novel ultraviolet nonlinear optical crystal based on the [B5O10] functional unit
Authors of publication	Liu, Haozhen; Du, Shiyu; Zhang, Paipai; Zhao, Jiawei; Chen, Yanna; An, Donghai
Journal of publication	New Journal of Chemistry
Year of publication	2026
Journal volume	50
Journal issue	9
Pages of publication	4052 - 4058
a	13.27 ± 0.0009 Å
b	13.27 ± 0.0009 Å
c	14.494 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	2210.3 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	155
Hermann-Mauguin space group symbol	R 3 2 :H
Hall space group symbol	R 3 2"
Residual factor for all reflections	0.0226
Residual factor for significantly intense reflections	0.0202
Weighted residual factors for significantly intense reflections	0.0453
Weighted residual factors for all reflections included in the refinement	0.046
Goodness-of-fit parameter for all reflections included in the refinement	0.922
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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