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Title: Materials Data on Ba2BiSbO6 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1199229· OSTI ID:1199229

Ba2BiSbO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to twelve equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.79–3.37 Å. Bi3+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedral tilt angles are 15°. All Bi–O bond lengths are 2.34 Å. Sb5+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent BiO6 octahedra. The corner-sharing octahedral tilt angles are 15°. All Sb–O bond lengths are 2.03 Å. O2- is bonded in a 5-coordinate geometry to four equivalent Ba2+, one Bi3+, and one Sb5+ atom.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1199229
Report Number(s):
mp-23091
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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