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Title: Materials Data on CsMoO3 by Materials Project

Abstract

CsMoO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent O2- atoms to form CsO12 cuboctahedra that share corners with twelve equivalent CsO12 cuboctahedra, faces with six equivalent CsO12 cuboctahedra, and faces with eight equivalent MoO6 octahedra. All Cs–O bond lengths are 2.92 Å. Mo5+ is bonded to six equivalent O2- atoms to form MoO6 octahedra that share corners with six equivalent MoO6 octahedra and faces with eight equivalent CsO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–O bond lengths are 2.07 Å. O2- is bonded to four equivalent Cs1+ and two equivalent Mo5+ atoms to form a mixture of distorted face, edge, and corner-sharing OCs4Mo2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Publication Date:
Other Number(s):
mp-1183917
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; CsMoO3; Cs-Mo-O
OSTI Identifier:
1652715
DOI:
https://doi.org/10.17188/1652715

Citation Formats

The Materials Project. Materials Data on CsMoO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652715.
The Materials Project. Materials Data on CsMoO3 by Materials Project. United States. doi:https://doi.org/10.17188/1652715
The Materials Project. 2020. "Materials Data on CsMoO3 by Materials Project". United States. doi:https://doi.org/10.17188/1652715. https://www.osti.gov/servlets/purl/1652715. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1652715,
title = {Materials Data on CsMoO3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsMoO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent O2- atoms to form CsO12 cuboctahedra that share corners with twelve equivalent CsO12 cuboctahedra, faces with six equivalent CsO12 cuboctahedra, and faces with eight equivalent MoO6 octahedra. All Cs–O bond lengths are 2.92 Å. Mo5+ is bonded to six equivalent O2- atoms to form MoO6 octahedra that share corners with six equivalent MoO6 octahedra and faces with eight equivalent CsO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–O bond lengths are 2.07 Å. O2- is bonded to four equivalent Cs1+ and two equivalent Mo5+ atoms to form a mixture of distorted face, edge, and corner-sharing OCs4Mo2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},
doi = {10.17188/1652715},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}