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Title: Materials Data on Sr2TaCrO6 by Materials Project

Abstract

Sr2CrTaO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent TaO6 octahedra, and faces with four equivalent CrO6 octahedra. All Sr–O bond lengths are 2.83 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent CrO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 1.99 Å. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–O bond lengths are 2.01 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Ta5+, and one Cr3+ atom.

Publication Date:
Other Number(s):
mp-31624
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; Sr2TaCrO6; Cr-O-Sr-Ta
OSTI Identifier:
1205797
DOI:
10.17188/1205797

Citation Formats

The Materials Project. Materials Data on Sr2TaCrO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205797.
The Materials Project. Materials Data on Sr2TaCrO6 by Materials Project. United States. doi:10.17188/1205797.
The Materials Project. 2020. "Materials Data on Sr2TaCrO6 by Materials Project". United States. doi:10.17188/1205797. https://www.osti.gov/servlets/purl/1205797. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1205797,
title = {Materials Data on Sr2TaCrO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2CrTaO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent TaO6 octahedra, and faces with four equivalent CrO6 octahedra. All Sr–O bond lengths are 2.83 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent CrO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 1.99 Å. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–O bond lengths are 2.01 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Ta5+, and one Cr3+ atom.},
doi = {10.17188/1205797},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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