U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca3SbAs by Materials Project
Abstract
Ca3SbAs is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded in a linear geometry to four equivalent Sb3- and two equivalent As3- atoms. All Ca–Sb bond lengths are 3.88 Å. Both Ca–As bond lengths are 2.74 Å. Sb3- is bonded to twelve equivalent Ca2+ atoms to form SbCa12 cuboctahedra that share corners with twelve equivalent SbCa12 cuboctahedra, faces with six equivalent SbCa12 cuboctahedra, and faces with eight equivalent AsCa6 octahedra. As3- is bonded to six equivalent Ca2+ atoms to form AsCa6 octahedra that share corners with six equivalent AsCa6 octahedra and faces with eight equivalent SbCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-1013544
- 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; As-Ca-Sb; Ca3SbAs; crystal structure
- OSTI Identifier:
- 1330023
- DOI:
- https://doi.org/10.17188/1330023
Citation Formats
Materials Data on Ca3SbAs by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1330023.
Materials Data on Ca3SbAs by Materials Project. United States. doi:https://doi.org/10.17188/1330023
2020.
"Materials Data on Ca3SbAs by Materials Project". United States. doi:https://doi.org/10.17188/1330023. https://www.osti.gov/servlets/purl/1330023. Pub date:Mon Jul 20 04:00:00 UTC 2020
@article{osti_1330023,
title = {Materials Data on Ca3SbAs by Materials Project},
abstractNote = {Ca3SbAs is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded in a linear geometry to four equivalent Sb3- and two equivalent As3- atoms. All Ca–Sb bond lengths are 3.88 Å. Both Ca–As bond lengths are 2.74 Å. Sb3- is bonded to twelve equivalent Ca2+ atoms to form SbCa12 cuboctahedra that share corners with twelve equivalent SbCa12 cuboctahedra, faces with six equivalent SbCa12 cuboctahedra, and faces with eight equivalent AsCa6 octahedra. As3- is bonded to six equivalent Ca2+ atoms to form AsCa6 octahedra that share corners with six equivalent AsCa6 octahedra and faces with eight equivalent SbCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1330023},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}