Materials Data on LiBiF5 by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1288610
- Report Number(s):
- mp-752483
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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