U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2BiO3 by Materials Project
Abstract
Li2BiO3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Li is bonded to five O atoms to form LiO5 trigonal bipyramids that share corners with two equivalent BiO6 octahedra, corners with six equivalent LiO5 trigonal bipyramids, edges with four equivalent BiO6 octahedra, and edges with three equivalent LiO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 50°. There are a spread of Li–O bond distances ranging from 1.96–2.32 Å. Bi is bonded to six O atoms to form BiO6 octahedra that share corners with two equivalent BiO6 octahedra, corners with four equivalent LiO5 trigonal bipyramids, edges with two equivalent BiO6 octahedra, and edges with eight equivalent LiO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.22 Å) and four longer (2.27 Å) Bi–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to four equivalent Li and two equivalent Bi atoms to form OLi4Bi2 octahedra that share corners with two equivalent OLi4Bi2 octahedra, corners with four equivalent OLi3Bi2 trigonal bipyramids, edges with two equivalent OLi4Bi2 octahedra, and edges with eight equivalent OLi3Bi2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 0°. In the second Omore »
- Publication Date:
- Other Number(s):
- mp-753162
- 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-Li-O; Li2BiO3; crystal structure
- OSTI Identifier:
- 1288916
- DOI:
- https://doi.org/10.17188/1288916
Citation Formats
Materials Data on Li2BiO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1288916.
Materials Data on Li2BiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1288916
2020.
"Materials Data on Li2BiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1288916. https://www.osti.gov/servlets/purl/1288916. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1288916,
title = {Materials Data on Li2BiO3 by Materials Project},
abstractNote = {Li2BiO3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Li is bonded to five O atoms to form LiO5 trigonal bipyramids that share corners with two equivalent BiO6 octahedra, corners with six equivalent LiO5 trigonal bipyramids, edges with four equivalent BiO6 octahedra, and edges with three equivalent LiO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 50°. There are a spread of Li–O bond distances ranging from 1.96–2.32 Å. Bi is bonded to six O atoms to form BiO6 octahedra that share corners with two equivalent BiO6 octahedra, corners with four equivalent LiO5 trigonal bipyramids, edges with two equivalent BiO6 octahedra, and edges with eight equivalent LiO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.22 Å) and four longer (2.27 Å) Bi–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to four equivalent Li and two equivalent Bi atoms to form OLi4Bi2 octahedra that share corners with two equivalent OLi4Bi2 octahedra, corners with four equivalent OLi3Bi2 trigonal bipyramids, edges with two equivalent OLi4Bi2 octahedra, and edges with eight equivalent OLi3Bi2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 0°. In the second O site, O is bonded to three equivalent Li and two equivalent Bi atoms to form OLi3Bi2 trigonal bipyramids that share corners with two equivalent OLi4Bi2 octahedra, corners with six equivalent OLi3Bi2 trigonal bipyramids, edges with four equivalent OLi4Bi2 octahedra, and edges with three equivalent OLi3Bi2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 48°.},
doi = {10.17188/1288916},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}