Crystallography Open Database

Information card for entry 4350776

Preview

Coordinates	4350776.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B4 Dy2 K2 Li4 O12
Calculated formula	B4 Dy2 K2 Li4 O12
Title of publication	KLi2RE(BO3)2 (RE = Dy, Ho, Er, Tm, Yb, and Y): Structural, Spectroscopic, And Thermogravimetric Studies on a Series of Mixed-Alkali Rare-Earth Orthoborates
Authors of publication	Chen, Pengyun; Murshed, M. Mangir; Fischer, Michael; Frederichs, Thomas; Gesing, Thorsten M.
Journal of publication	Inorganic Chemistry
Year of publication	2020
Journal volume	59
Journal issue	24
Pages of publication	18214 - 18224
a	6.72257 ± 0.0001 Å
b	9.34586 ± 0.00015 Å
c	9.00894 ± 0.00013 Å
α	90°
β	102.883 ± 0.0013°
γ	90°
Cell volume	551.768 ± 0.015 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0443
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0325
Weighted residual factors for all reflections included in the refinement	0.0348
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
260042 (current)	2020-12-21	cif/ Adding structures of 4350776 via cif-deposit CGI script.	4350776.cif