skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Rb2HBrO by Materials Project

Abstract

Rb2HOBr crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to one O2- and three equivalent Br1- atoms. The Rb–O bond length is 2.71 Å. There are two shorter (3.53 Å) and one longer (3.83 Å) Rb–Br bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to two equivalent H1+, two equivalent O2-, and four equivalent Br1- atoms. Both Rb–H bond lengths are 3.08 Å. Both Rb–O bond lengths are 2.97 Å. There are two shorter (3.56 Å) and two longer (3.64 Å) Rb–Br bond lengths. H1+ is bonded in a single-bond geometry to two equivalent Rb1+ and one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted single-bond geometry to three Rb1+ and one H1+ atom. Br1- is bonded in a 7-coordinate geometry to seven Rb1+ atoms.

Publication Date:
Other Number(s):
mp-24007
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Rb2HBrO; Br-H-O-Rb
OSTI Identifier:
1199860
DOI:
https://doi.org/10.17188/1199860

Citation Formats

The Materials Project. Materials Data on Rb2HBrO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199860.
The Materials Project. Materials Data on Rb2HBrO by Materials Project. United States. doi:https://doi.org/10.17188/1199860
The Materials Project. 2020. "Materials Data on Rb2HBrO by Materials Project". United States. doi:https://doi.org/10.17188/1199860. https://www.osti.gov/servlets/purl/1199860. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1199860,
title = {Materials Data on Rb2HBrO by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2HOBr crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to one O2- and three equivalent Br1- atoms. The Rb–O bond length is 2.71 Å. There are two shorter (3.53 Å) and one longer (3.83 Å) Rb–Br bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to two equivalent H1+, two equivalent O2-, and four equivalent Br1- atoms. Both Rb–H bond lengths are 3.08 Å. Both Rb–O bond lengths are 2.97 Å. There are two shorter (3.56 Å) and two longer (3.64 Å) Rb–Br bond lengths. H1+ is bonded in a single-bond geometry to two equivalent Rb1+ and one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted single-bond geometry to three Rb1+ and one H1+ atom. Br1- is bonded in a 7-coordinate geometry to seven Rb1+ atoms.},
doi = {10.17188/1199860},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}