Crystallography Open Database

Information card for entry 1559833

Preview

Coordinates	1559833.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B4 K3 O12 Tm3
Calculated formula	B4 K3 O12 Tm3
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	2021
Journal volume	56
Journal issue	5
Pages of publication	3639 - 3652
a	10.49 ± 0.0002 Å
b	17.3785 ± 0.0004 Å
c	13.7941 ± 0.0003 Å
α	90°
β	110.495 ± 0.001°
γ	90°
Cell volume	2355.5 ± 0.09 Å³
Cell temperature	302 ± 2 K
Ambient diffraction temperature	302 ± 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	0.0266
Residual factor for significantly intense reflections	0.0191
Weighted residual factors for significantly intense reflections	0.0341
Weighted residual factors for all reflections included in the refinement	0.0356
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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