skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Rb4Br2O by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1204443· OSTI ID:1204443

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.

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:
1204443
Report Number(s):
mp-30004
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on Rb4I2O by Materials Project
Dataset · Wed Jul 22 00:00:00 EDT 2020 · OSTI ID:1204443

Materials Data on Rb2LiDyBr6 by Materials Project
Dataset · Sat Jul 18 00:00:00 EDT 2020 · OSTI ID:1204443

Materials Data on Rb2ZnBr4 by Materials Project
Dataset · Sat Jan 12 00:00:00 EST 2019 · OSTI ID:1204443