Crystallography Open Database

Information card for entry 1559838

Preview

Coordinates	1559838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B7 K9 Li3 Nd3 O21
Calculated formula	B7 K9 Li3 Nd3 O21
Title of publication	Mixed Alkali Neodymium Orthoborates: K9 Li3 Nd3 (BO3 )7 and A 2 LiNd(BO3 )2 (A = Rb, Cs)
Authors of publication	Chen, Pengyun; Xia, Mingjun; Li, Rukang
Journal of publication	Zeitschrift für anorganische und allgemeine Chemie
Year of publication	2016
Journal volume	642
Journal issue	5
Pages of publication	424 - 430
a	11.4524 ± 0.0007 Å
b	10.1266 ± 0.0006 Å
c	12.3116 ± 0.001 Å
α	90°
β	122.009 ± 0.001°
γ	90°
Cell volume	1210.74 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0303
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0748
Weighted residual factors for all reflections included in the refinement	0.0753
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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