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Title: Materials Data on CaSbO3 by Materials Project

Abstract

CaSbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca is bonded in a 4-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.36–2.89 Å. Sb is bonded to six O atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 35–37°. There are four shorter (2.15 Å) and two longer (2.16 Å) Sb–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to two equivalent Ca and two equivalent Sb atoms to form distorted corner-sharing OCa2Sb2 tetrahedra. In the second O site, O is bonded in a 5-coordinate geometry to three equivalent Ca and two equivalent Sb atoms.

Authors:
Publication Date:
Other Number(s):
mvc-3834
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; CaSbO3; Ca-O-Sb
OSTI Identifier:
1320739
DOI:
https://doi.org/10.17188/1320739

Citation Formats

The Materials Project. Materials Data on CaSbO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1320739.
The Materials Project. Materials Data on CaSbO3 by Materials Project. United States. doi:https://doi.org/10.17188/1320739
The Materials Project. 2020. "Materials Data on CaSbO3 by Materials Project". United States. doi:https://doi.org/10.17188/1320739. https://www.osti.gov/servlets/purl/1320739. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1320739,
title = {Materials Data on CaSbO3 by Materials Project},
author = {The Materials Project},
abstractNote = {CaSbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca is bonded in a 4-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.36–2.89 Å. Sb is bonded to six O atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 35–37°. There are four shorter (2.15 Å) and two longer (2.16 Å) Sb–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to two equivalent Ca and two equivalent Sb atoms to form distorted corner-sharing OCa2Sb2 tetrahedra. In the second O site, O is bonded in a 5-coordinate geometry to three equivalent Ca and two equivalent Sb atoms.},
doi = {10.17188/1320739},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}