U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiBeBO3 by Materials Project
Abstract
LiBeBO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with five equivalent BeO4 tetrahedra and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.91–2.08 Å. Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with five equivalent LiO4 tetrahedra and an edgeedge with one BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.58–1.72 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.41 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Be2+, and one B3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Be2+, and one B3+ atom. In the third O2- site, O2- is bonded to one Li1+, two equivalent Be2+, and one B3+ atom to form distorted edge-sharing OLiBe2B tetrahedra.
- Publication Date:
- Other Number(s):
- mp-1020026
- 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; B-Be-Li-O; LiBeBO3; crystal structure
- OSTI Identifier:
- 1350568
- DOI:
- https://doi.org/10.17188/1350568
Citation Formats
Materials Data on LiBeBO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350568.
Materials Data on LiBeBO3 by Materials Project. United States. doi:https://doi.org/10.17188/1350568
2020.
"Materials Data on LiBeBO3 by Materials Project". United States. doi:https://doi.org/10.17188/1350568. https://www.osti.gov/servlets/purl/1350568. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1350568,
title = {Materials Data on LiBeBO3 by Materials Project},
abstractNote = {LiBeBO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with five equivalent BeO4 tetrahedra and an edgeedge with one LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.91–2.08 Å. Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with five equivalent LiO4 tetrahedra and an edgeedge with one BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.58–1.72 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.36–1.41 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Be2+, and one B3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Be2+, and one B3+ atom. In the third O2- site, O2- is bonded to one Li1+, two equivalent Be2+, and one B3+ atom to form distorted edge-sharing OLiBe2B tetrahedra.},
doi = {10.17188/1350568},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}