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Title: Materials Data on Rb3BiO3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1203991· OSTI ID:1203991

Rb3BiO3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.94 Å) and three longer (3.17 Å) Rb–O bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.95 Å) and three longer (3.13 Å) Rb–O bond lengths. In the third Rb1+ site, Rb1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Rb–O bond lengths are 2.78 Å. Bi3+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Bi–O bond lengths are 2.10 Å. O2- is bonded in a 6-coordinate geometry to five Rb1+ and one Bi3+ 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:
1203991
Report Number(s):
mp-29525
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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