Crystallography Open Database

Information card for entry 1559831

Preview

Coordinates	1559831.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B4 K3 Lu3 O12
Calculated formula	B4 K3 Lu3 O12
Title of publication	Synthesis and crystal structures of novel alkali rare-earth orthoborates K3RE3(BO3)4 (RE = Pr, Nd, Sm‒Lu)
Authors of publication	Chen, Pengyun; Murshed, M. Mangir; Gesing, Thorsten M.
Journal of publication	Journal of Materials Science
Year of publication	2020
Journal volume	56
Journal issue	5
Pages of publication	3639 - 3652
a	10.4282 ± 0.0003 Å
b	17.3029 ± 0.0006 Å
c	13.7515 ± 0.0004 Å
α	90°
β	110.286 ± 0.001°
γ	90°
Cell volume	2327.39 ± 0.13 Å³
Cell temperature	303 ± 2 K
Ambient diffraction temperature	303 ± 2 K
Number of distinct elements	4
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	0.0493
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0353
Weighted residual factors for all reflections included in the refinement	0.0381
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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