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Title: Materials Data on RbLiMoO5 by Materials Project

Abstract

RbLiMoO5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.27 Å. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with three equivalent MoO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.93–2.12 Å. Mo is bonded to four O atoms to form MoO4 tetrahedra that share corners with three equivalent LiO4 tetrahedra. There are a spread of Mo–O bond distances ranging from 1.77–1.82 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to two equivalent Rb and one Mo atom. In the second O site, O is bonded in a 4-coordinate geometry to two equivalent Rb, one Li, and one Mo atom. In the third O site, O is bonded in a 2-coordinate geometry to one Rb, one Li, and one Mo atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Rb, one Li, and one Mo atom. In the fifth O site, O is bonded in amore » distorted single-bond geometry to two equivalent Rb and one Li atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1204616
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; RbLiMoO5; Li-Mo-O-Rb
OSTI Identifier:
1731931
DOI:
https://doi.org/10.17188/1731931

Citation Formats

The Materials Project. Materials Data on RbLiMoO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1731931.
The Materials Project. Materials Data on RbLiMoO5 by Materials Project. United States. doi:https://doi.org/10.17188/1731931
The Materials Project. 2020. "Materials Data on RbLiMoO5 by Materials Project". United States. doi:https://doi.org/10.17188/1731931. https://www.osti.gov/servlets/purl/1731931. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1731931,
title = {Materials Data on RbLiMoO5 by Materials Project},
author = {The Materials Project},
abstractNote = {RbLiMoO5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.27 Å. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with three equivalent MoO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.93–2.12 Å. Mo is bonded to four O atoms to form MoO4 tetrahedra that share corners with three equivalent LiO4 tetrahedra. There are a spread of Mo–O bond distances ranging from 1.77–1.82 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to two equivalent Rb and one Mo atom. In the second O site, O is bonded in a 4-coordinate geometry to two equivalent Rb, one Li, and one Mo atom. In the third O site, O is bonded in a 2-coordinate geometry to one Rb, one Li, and one Mo atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Rb, one Li, and one Mo atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one Li atom.},
doi = {10.17188/1731931},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}