U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on La3InB by Materials Project
Abstract
La3InB is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded in a distorted linear geometry to four equivalent In and two equivalent B atoms. All La–In bond lengths are 3.77 Å. Both La–B bond lengths are 2.66 Å. In is bonded to twelve equivalent La atoms to form InLa12 cuboctahedra that share corners with twelve equivalent InLa12 cuboctahedra, faces with six equivalent InLa12 cuboctahedra, and faces with eight equivalent BLa6 octahedra. B is bonded to six equivalent La atoms to form BLa6 octahedra that share corners with six equivalent BLa6 octahedra and faces with eight equivalent InLa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-20590
- 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; B-In-La; La3InB; crystal structure
- OSTI Identifier:
- 1195731
- DOI:
- https://doi.org/10.17188/1195731
Citation Formats
Materials Data on La3InB by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1195731.
Materials Data on La3InB by Materials Project. United States. doi:https://doi.org/10.17188/1195731
2020.
"Materials Data on La3InB by Materials Project". United States. doi:https://doi.org/10.17188/1195731. https://www.osti.gov/servlets/purl/1195731. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1195731,
title = {Materials Data on La3InB by Materials Project},
abstractNote = {La3InB is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded in a distorted linear geometry to four equivalent In and two equivalent B atoms. All La–In bond lengths are 3.77 Å. Both La–B bond lengths are 2.66 Å. In is bonded to twelve equivalent La atoms to form InLa12 cuboctahedra that share corners with twelve equivalent InLa12 cuboctahedra, faces with six equivalent InLa12 cuboctahedra, and faces with eight equivalent BLa6 octahedra. B is bonded to six equivalent La atoms to form BLa6 octahedra that share corners with six equivalent BLa6 octahedra and faces with eight equivalent InLa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1195731},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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