Materials Data on Li2BiO3 by Materials Project
Li2BiO3 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a linear geometry to two equivalent O atoms. Both Li–O bond lengths are 1.88 Å. In the second Li site, Li is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.93 Å) and one longer (1.95 Å) Li–O bond length. Bi is bonded to six O atoms to form a mixture of corner and edge-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Bi–O bond distances ranging from 2.22–2.30 Å. There are two inequivalent O sites. In the first O site, O is bonded to two Li and two equivalent Bi atoms to form a mixture of corner and edge-sharing OLi2Bi2 tetrahedra. In the second O site, O is bonded in a distorted trigonal planar geometry to one Li and two equivalent Bi atoms.
- 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:
- 1298579
- Report Number(s):
- mp-768970
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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