Crystallography Open Database

Information card for entry 2311778

Preview

Coordinates	2311778.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba2 O13 Pr2 Si4
Calculated formula	Ba2 O13 Pr2 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	6.688 ± 0.0003 Å
b	8.953 ± 0.0004 Å
c	10.1324 ± 0.0004 Å
α	86.5023 ± 0.0013°
β	73.5481 ± 0.0013°
γ	86.2929 ± 0.0015°
Cell volume	580.07 ± 0.04 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0222
Residual factor for significantly intense reflections	0.0205
Weighted residual factors for significantly intense reflections	0.05
Weighted residual factors for all reflections included in the refinement	0.0507
Goodness-of-fit parameter for all reflections included in the refinement	1.165
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.	2311778.cif