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Title: Materials Data on Rb3BrO by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1204482· OSTI ID:1204482

Rb3OBr is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Br1- atoms. Both Rb–O bond lengths are 2.79 Å. All Rb–Br bond lengths are 3.94 Å. O2- is bonded to six equivalent Rb1+ atoms to form ORb6 octahedra that share corners with six equivalent ORb6 octahedra and faces with eight equivalent BrRb12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Br1- is bonded to twelve equivalent Rb1+ atoms to form BrRb12 cuboctahedra that share corners with twelve equivalent BrRb12 cuboctahedra, faces with six equivalent BrRb12 cuboctahedra, and faces with eight equivalent ORb6 octahedra.

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:
1204482
Report Number(s):
mp-30055
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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