U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sc3TlB by Materials Project
Abstract
Sc3TlB is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a linear geometry to four equivalent Tl and two equivalent B atoms. All Sc–Tl bond lengths are 3.32 Å. Both Sc–B bond lengths are 2.35 Å. Tl is bonded to twelve equivalent Sc atoms to form TlSc12 cuboctahedra that share corners with twelve equivalent TlSc12 cuboctahedra, faces with six equivalent TlSc12 cuboctahedra, and faces with eight equivalent BSc6 octahedra. B is bonded to six equivalent Sc atoms to form BSc6 octahedra that share corners with six equivalent BSc6 octahedra and faces with eight equivalent TlSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-10140
- 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-Sc-Tl; Sc3TlB; crystal structure
- OSTI Identifier:
- 1186672
- DOI:
- https://doi.org/10.17188/1186672
Citation Formats
Materials Data on Sc3TlB by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1186672.
Materials Data on Sc3TlB by Materials Project. United States. doi:https://doi.org/10.17188/1186672
2020.
"Materials Data on Sc3TlB by Materials Project". United States. doi:https://doi.org/10.17188/1186672. https://www.osti.gov/servlets/purl/1186672. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1186672,
title = {Materials Data on Sc3TlB by Materials Project},
abstractNote = {Sc3TlB is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a linear geometry to four equivalent Tl and two equivalent B atoms. All Sc–Tl bond lengths are 3.32 Å. Both Sc–B bond lengths are 2.35 Å. Tl is bonded to twelve equivalent Sc atoms to form TlSc12 cuboctahedra that share corners with twelve equivalent TlSc12 cuboctahedra, faces with six equivalent TlSc12 cuboctahedra, and faces with eight equivalent BSc6 octahedra. B is bonded to six equivalent Sc atoms to form BSc6 octahedra that share corners with six equivalent BSc6 octahedra and faces with eight equivalent TlSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1186672},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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