U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca3TlN by Materials Project
Abstract
TlNCa3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a linear geometry to four equivalent Tl and two equivalent N atoms. All Ca–Tl bond lengths are 3.50 Å. Both Ca–N bond lengths are 2.48 Å. Tl is bonded to twelve equivalent Ca atoms to form TlCa12 cuboctahedra that share corners with twelve equivalent TlCa12 cuboctahedra, faces with six equivalent TlCa12 cuboctahedra, and faces with eight equivalent NCa6 octahedra. N is bonded to six equivalent Ca atoms to form NCa6 octahedra that share corners with six equivalent NCa6 octahedra and faces with eight equivalent TlCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-10554
- 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; Ca-N-Tl; Ca3TlN; crystal structure
- OSTI Identifier:
- 1187196
- DOI:
- https://doi.org/10.17188/1187196
Citation Formats
Materials Data on Ca3TlN by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187196.
Materials Data on Ca3TlN by Materials Project. United States. doi:https://doi.org/10.17188/1187196
2020.
"Materials Data on Ca3TlN by Materials Project". United States. doi:https://doi.org/10.17188/1187196. https://www.osti.gov/servlets/purl/1187196. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1187196,
title = {Materials Data on Ca3TlN by Materials Project},
abstractNote = {TlNCa3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a linear geometry to four equivalent Tl and two equivalent N atoms. All Ca–Tl bond lengths are 3.50 Å. Both Ca–N bond lengths are 2.48 Å. Tl is bonded to twelve equivalent Ca atoms to form TlCa12 cuboctahedra that share corners with twelve equivalent TlCa12 cuboctahedra, faces with six equivalent TlCa12 cuboctahedra, and faces with eight equivalent NCa6 octahedra. N is bonded to six equivalent Ca atoms to form NCa6 octahedra that share corners with six equivalent NCa6 octahedra and faces with eight equivalent TlCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1187196},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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