U.S. Department of EnergyOffice of Scientific and Technical Information
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
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cr-O-Sr-Ta; Sr2TaCrO6; crystal structure
- OSTI Identifier:
- 1205797
- DOI:
- https://doi.org/10.17188/1205797
Citation Formats
Materials Data on Sr2TaCrO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205797.
Materials Data on Sr2TaCrO6 by Materials Project. United States. doi:https://doi.org/10.17188/1205797
2020.
"Materials Data on Sr2TaCrO6 by Materials Project". United States. doi:https://doi.org/10.17188/1205797. https://www.osti.gov/servlets/purl/1205797. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1205797,
title = {Materials Data on Sr2TaCrO6 by 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}
}