Crystallography Open Database

Information card for entry 2311784

Preview

Coordinates	2311784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba2 Er2 F2 O12 Si4
Calculated formula	Ba2 Er2 F2 O12 Si4
Title of publication	Crystal chemistry and the role of ionic radius in rare earth tetrasilicates: Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>12</sub>F<sub>2</sub> (RE = Er<sup>3+</sup>-Lu<sup>3+</sup>) and Ba<sub>2</sub>RE<sub>2</sub>Si<sub>4</sub>O<sub>13</sub> (RE = La<sup>3+</sup>-Ho<sup>3+</sup>).
Authors of publication	Fulle, Kyle; Sanjeewa, Liurukara D.; McMillen, Colin D.; Kolis, Joseph W.
Journal of publication	Acta crystallographica Section B, Structural science, crystal engineering and materials
Year of publication	2017
Journal volume	73
Journal issue	Pt 5
Pages of publication	907 - 915
a	5.476 ± 0.004 Å
b	7.166 ± 0.006 Å
c	8.958 ± 0.008 Å
α	108.138 ± 0.018°
β	102.03 ± 0.02°
γ	92.742 ± 0.019°
Cell volume	324.3 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0362
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.0944
Goodness-of-fit parameter for all reflections included in the refinement	1.145
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
246104 (current)	2019-12-26	cif/ Adding structures of 2311776, 2311777, 2311778, 2311779, 2311780, 2311781, 2311782, 2311783, 2311784, 2311785, 2311786, 2311787 via cif-deposit CGI script.	2311784.cif