Crystallography Open Database

Information card for entry 7126894

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Coordinates	7126894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs2 O15 Pu Si6
Calculated formula	Cs2 O15 Pu Si6
Title of publication	Targeting complex plutonium oxides by combining crystal chemical reasoning with density-functional theory calculations: the quaternary plutonium oxide Cs<sub>2</sub>PuSi<sub>6</sub>O<sub>15</sub>.
Authors of publication	Pace, Kristen A.; Klepov, Vladislav V.; Christian, Matthew S.; Morrison, Gregory; Deason, Travis K.; Kutahyali Aslani, Ceren; Besmann, Theodore M.; Diprete, David P.; Amoroso, Jake W.; Zur Loye, Hans-Conrad
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	66
Pages of publication	9501 - 9504
a	7.2502 ± 0.0002 Å
b	16.1726 ± 0.0004 Å
c	13.4121 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1572.63 ± 0.07 Å³
Cell temperature	303 ± 2 K
Ambient diffraction temperature	303.28 K
Number of distinct elements	4
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0289
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.065
Weighted residual factors for all reflections included in the refinement	0.0651
Goodness-of-fit parameter for all reflections included in the refinement	1.16
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
255987 (current)	2020-09-06	cif/ Updating files of 7126894, 7126895 Original log message: Adding full bibliography for 7126894--7126895.cif.	7126894.cif
254259	2020-07-14	cif/ Adding structures of 7126894, 7126895 via cif-deposit CGI script.	7126894.cif