Crystallography Open Database

Information card for entry 1561813

Preview

Coordinates	1561813.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tridecabarium hexaboron tetrasilicon tetradecanitrogen
Formula	B12 Ba26 N27 Si5
Calculated formula	B12 Ba26 N27 Si5
Title of publication	Synthesis and crystal structure of Ba26B12Si5N27 containing [Si2] dumbbells
Authors of publication	Takayuki, Hashimoto; Yamane, Hisanori; Becker, Nils; Dronskowski, Richard
Journal of publication	Journal of Solid State Chemistry
Year of publication	2015
Journal volume	230
Pages of publication	390 - 396
a	17.6942 ± 0.0004 Å
b	34.1437 ± 0.0006 Å
c	10.04098 ± 0.00018 Å
α	90°
β	90°
γ	90°
Cell volume	6066.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0174
Residual factor for significantly intense reflections	0.0168
Weighted residual factors for significantly intense reflections	0.0382
Weighted residual factors for all reflections included in the refinement	0.0384
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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