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Title: Materials Data on Rb4Br2O by Materials Project

Abstract

Rb4OBr2 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to one O2- and five equivalent Br1- atoms. The Rb–O bond length is 2.72 Å. There are one shorter (3.54 Å) and four longer (3.92 Å) Rb–Br bond lengths. In the second Rb1+ site, Rb1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Br1- atoms. Both Rb–O bond lengths are 2.77 Å. All Rb–Br bond lengths are 3.74 Å. O2- is bonded to six Rb1+ atoms to form corner-sharing ORb6 octahedra. The corner-sharing octahedral tilt angles are 0°. Br1- is bonded in a 9-coordinate geometry to nine Rb1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-30004
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Rb4Br2O; Br-O-Rb
OSTI Identifier:
1204443
DOI:
https://doi.org/10.17188/1204443

Citation Formats

The Materials Project. Materials Data on Rb4Br2O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204443.
The Materials Project. Materials Data on Rb4Br2O by Materials Project. United States. doi:https://doi.org/10.17188/1204443
The Materials Project. 2020. "Materials Data on Rb4Br2O by Materials Project". United States. doi:https://doi.org/10.17188/1204443. https://www.osti.gov/servlets/purl/1204443. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1204443,
title = {Materials Data on Rb4Br2O by Materials Project},
author = {The Materials Project},
abstractNote = {Rb4OBr2 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to one O2- and five equivalent Br1- atoms. The Rb–O bond length is 2.72 Å. There are one shorter (3.54 Å) and four longer (3.92 Å) Rb–Br bond lengths. In the second Rb1+ site, Rb1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Br1- atoms. Both Rb–O bond lengths are 2.77 Å. All Rb–Br bond lengths are 3.74 Å. O2- is bonded to six Rb1+ atoms to form corner-sharing ORb6 octahedra. The corner-sharing octahedral tilt angles are 0°. Br1- is bonded in a 9-coordinate geometry to nine Rb1+ atoms.},
doi = {10.17188/1204443},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}