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Title: Materials Data on SrCaO3 by Materials Project

Abstract

SrCaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent O atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent CaO6 octahedra. All Sr–O bond lengths are 3.09 Å. Ca is bonded to six equivalent O atoms to form CaO6 octahedra that share corners with six equivalent CaO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–O bond lengths are 2.19 Å. O is bonded in a distorted linear geometry to four equivalent Sr and two equivalent Ca atoms.

Authors:
Publication Date:
Other Number(s):
mp-978842
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; SrCaO3; Ca-O-Sr
OSTI Identifier:
1316003
DOI:
https://doi.org/10.17188/1316003

Citation Formats

The Materials Project. Materials Data on SrCaO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316003.
The Materials Project. Materials Data on SrCaO3 by Materials Project. United States. doi:https://doi.org/10.17188/1316003
The Materials Project. 2020. "Materials Data on SrCaO3 by Materials Project". United States. doi:https://doi.org/10.17188/1316003. https://www.osti.gov/servlets/purl/1316003. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1316003,
title = {Materials Data on SrCaO3 by Materials Project},
author = {The Materials Project},
abstractNote = {SrCaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent O atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent CaO6 octahedra. All Sr–O bond lengths are 3.09 Å. Ca is bonded to six equivalent O atoms to form CaO6 octahedra that share corners with six equivalent CaO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–O bond lengths are 2.19 Å. O is bonded in a distorted linear geometry to four equivalent Sr and two equivalent Ca atoms.},
doi = {10.17188/1316003},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}