Materials Data on TlAsF6 by Materials Project
Abstract
TlAsF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Tl1+ is bonded to twelve equivalent F1- atoms to form TlF12 cuboctahedra that share corners with six equivalent AsF6 octahedra, edges with six equivalent TlF12 cuboctahedra, and faces with two equivalent AsF6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are six shorter (3.06 Å) and six longer (3.21 Å) Tl–F bond lengths. As5+ is bonded to six equivalent F1- atoms to form AsF6 octahedra that share corners with six equivalent TlF12 cuboctahedra and faces with two equivalent TlF12 cuboctahedra. All As–F bond lengths are 1.78 Å. F1- is bonded in a single-bond geometry to two equivalent Tl1+ and one As5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-555911
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; TlAsF6; As-F-Tl
- OSTI Identifier:
- 1269056
- DOI:
- https://doi.org/10.17188/1269056
Citation Formats
The Materials Project. Materials Data on TlAsF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1269056.
The Materials Project. Materials Data on TlAsF6 by Materials Project. United States. doi:https://doi.org/10.17188/1269056
The Materials Project. 2020.
"Materials Data on TlAsF6 by Materials Project". United States. doi:https://doi.org/10.17188/1269056. https://www.osti.gov/servlets/purl/1269056. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1269056,
title = {Materials Data on TlAsF6 by Materials Project},
author = {The Materials Project},
abstractNote = {TlAsF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Tl1+ is bonded to twelve equivalent F1- atoms to form TlF12 cuboctahedra that share corners with six equivalent AsF6 octahedra, edges with six equivalent TlF12 cuboctahedra, and faces with two equivalent AsF6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are six shorter (3.06 Å) and six longer (3.21 Å) Tl–F bond lengths. As5+ is bonded to six equivalent F1- atoms to form AsF6 octahedra that share corners with six equivalent TlF12 cuboctahedra and faces with two equivalent TlF12 cuboctahedra. All As–F bond lengths are 1.78 Å. F1- is bonded in a single-bond geometry to two equivalent Tl1+ and one As5+ atom.},
doi = {10.17188/1269056},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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