U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiBiF5 by Materials Project
Abstract
LiBiF5 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Li is bonded to four equivalent F atoms to form LiF4 tetrahedra that share corners with four equivalent BiF6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Li–F bond lengths are 1.91 Å. Bi is bonded to six F atoms to form BiF6 octahedra that share corners with two equivalent BiF6 octahedra and corners with four equivalent LiF4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.14 Å) and two longer (2.22 Å) Bi–F bond lengths. There are two inequivalent F sites. In the first F site, F is bonded in a linear geometry to two equivalent Bi atoms. In the second F site, F is bonded in a bent 120 degrees geometry to one Li and one Bi atom.
- Publication Date:
- Other Number(s):
- mp-752483
- 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; Bi-F-Li; LiBiF5; crystal structure
- OSTI Identifier:
- 1288610
- DOI:
- https://doi.org/10.17188/1288610
Citation Formats
Materials Data on LiBiF5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1288610.
Materials Data on LiBiF5 by Materials Project. United States. doi:https://doi.org/10.17188/1288610
2020.
"Materials Data on LiBiF5 by Materials Project". United States. doi:https://doi.org/10.17188/1288610. https://www.osti.gov/servlets/purl/1288610. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1288610,
title = {Materials Data on LiBiF5 by Materials Project},
abstractNote = {LiBiF5 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Li is bonded to four equivalent F atoms to form LiF4 tetrahedra that share corners with four equivalent BiF6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Li–F bond lengths are 1.91 Å. Bi is bonded to six F atoms to form BiF6 octahedra that share corners with two equivalent BiF6 octahedra and corners with four equivalent LiF4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.14 Å) and two longer (2.22 Å) Bi–F bond lengths. There are two inequivalent F sites. In the first F site, F is bonded in a linear geometry to two equivalent Bi atoms. In the second F site, F is bonded in a bent 120 degrees geometry to one Li and one Bi atom.},
doi = {10.17188/1288610},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 04:00:00 UTC 2020},
month = {Sun May 03 04:00:00 UTC 2020}
}