Materials Data on LiBi(BO3)2 by Materials Project
Abstract
LiBi(BO3)2 is Calcite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent BiO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Li–O bond lengths are 2.22 Å. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. Bi5+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Bi–O bond lengths are 2.17 Å. O2- is bonded in a distorted trigonal planar geometry to one Li1+, one B3+, and one Bi5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1176797
- 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; LiBi(BO3)2; B-Bi-Li-O
- OSTI Identifier:
- 1651459
- DOI:
- https://doi.org/10.17188/1651459
Citation Formats
The Materials Project. Materials Data on LiBi(BO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1651459.
The Materials Project. Materials Data on LiBi(BO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1651459
The Materials Project. 2020.
"Materials Data on LiBi(BO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1651459. https://www.osti.gov/servlets/purl/1651459. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1651459,
title = {Materials Data on LiBi(BO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiBi(BO3)2 is Calcite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent BiO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Li–O bond lengths are 2.22 Å. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. Bi5+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent LiO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Bi–O bond lengths are 2.17 Å. O2- is bonded in a distorted trigonal planar geometry to one Li1+, one B3+, and one Bi5+ atom.},
doi = {10.17188/1651459},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}