Crystallography Open Database

Information card for entry 8103266

Preview

Coordinates	8103266.cif
External links	PubChem

Structure parameters

Chemical name	tetrabarium dibismutide oxide
Formula	Ba4 Bi2 O
Calculated formula	Ba4 Bi2 O
Title of publication	Crystal structures of tetrastrontium dibismuthide oxide, Sr4Bi2O, and tetrabarium dibismuthide oxide, Ba4Bi2O
Authors of publication	Michael Wied; Jürgen Nuss; Wolfgang Hönle; Hans Georg von Schnering
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	4
Pages of publication	437
a	5.2662 ± 0.0007 Å
b	5.2662 ± 0.0007 Å
c	18.625 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	516.52 ± 0.15 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	139
Hermann-Mauguin space group symbol	I 4/m m m
Hall space group symbol	-I 4 2
Residual factor for all reflections	0.0679
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.1092
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
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
301880 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure.	8103266.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103266.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103266.cif
32608	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 8103266 via cif-deposit CGI script.	8103266.cif