Crystallography Open Database

Information card for entry 7717907

Preview

Coordinates	7717907.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B12 Na2 Se18 Si6
Calculated formula	B12 Na2 Se18 Si6
Title of publication	Na<sub>2</sub>B<sub>12</sub>Si<sub>6</sub>Se<sub>18</sub>: a novel B<sub>12</sub>-cluster-containing quaternary selenoborate framework material.
Authors of publication	Panigrahi, Gopabandhu; Tisdale, Hunter B.; Morrison, Gregory; Zur Loye, Hans-Conrad
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	5
Pages of publication	1956 - 1963
a	11.9111 ± 0.0001 Å
b	11.9111 ± 0.0001 Å
c	11.9111 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1689.88 ± 0.02 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 K
Number of distinct elements	4
Space group number	204
Hermann-Mauguin space group symbol	I m -3
Hall space group symbol	-I 2 2 3
Residual factor for all reflections	0.0224
Residual factor for significantly intense reflections	0.0195
Weighted residual factors for significantly intense reflections	0.0449
Weighted residual factors for all reflections included in the refinement	0.0461
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7717907.html