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Title: Materials Data on CaOsO3 by Materials Project

Abstract

CaOsO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent O2- atoms to form CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, and faces with eight equivalent OsO6 octahedra. All Ca–O bond lengths are 2.79 Å. Os4+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.98 Å. O2- is bonded to four equivalent Ca2+ and two equivalent Os4+ atoms to form a mixture of distorted edge, corner, and face-sharing OCa4Os2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Publication Date:
Other Number(s):
mp-1016900
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; CaOsO3; Ca-O-Os
OSTI Identifier:
1349453
DOI:
https://doi.org/10.17188/1349453

Citation Formats

The Materials Project. Materials Data on CaOsO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1349453.
The Materials Project. Materials Data on CaOsO3 by Materials Project. United States. doi:https://doi.org/10.17188/1349453
The Materials Project. 2020. "Materials Data on CaOsO3 by Materials Project". United States. doi:https://doi.org/10.17188/1349453. https://www.osti.gov/servlets/purl/1349453. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1349453,
title = {Materials Data on CaOsO3 by Materials Project},
author = {The Materials Project},
abstractNote = {CaOsO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent O2- atoms to form CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, and faces with eight equivalent OsO6 octahedra. All Ca–O bond lengths are 2.79 Å. Os4+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.98 Å. O2- is bonded to four equivalent Ca2+ and two equivalent Os4+ atoms to form a mixture of distorted edge, corner, and face-sharing OCa4Os2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},
doi = {10.17188/1349453},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}