U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiSi2BiO6 by Materials Project
Abstract
LiSi2BiO6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with two equivalent LiO6 octahedra. There are two shorter (2.10 Å) and four longer (2.22 Å) Li–O bond lengths. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent LiO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 32–60°. There are a spread of Si–O bond distances ranging from 1.61–1.69 Å. Bi3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.19 Å) and two longer (2.34 Å) Bi–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Si4+, and one Bi3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Si4+, and one Bi3+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Si4+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-759680
- 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; LiSi2BiO6; Bi-Li-O-Si
- OSTI Identifier:
- 1291467
- DOI:
- https://doi.org/10.17188/1291467
Citation Formats
The Materials Project. Materials Data on LiSi2BiO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1291467.
The Materials Project. Materials Data on LiSi2BiO6 by Materials Project. United States. doi:https://doi.org/10.17188/1291467
The Materials Project. 2020.
"Materials Data on LiSi2BiO6 by Materials Project". United States. doi:https://doi.org/10.17188/1291467. https://www.osti.gov/servlets/purl/1291467. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1291467,
title = {Materials Data on LiSi2BiO6 by Materials Project},
author = {The Materials Project},
abstractNote = {LiSi2BiO6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with two equivalent LiO6 octahedra. There are two shorter (2.10 Å) and four longer (2.22 Å) Li–O bond lengths. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent LiO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 32–60°. There are a spread of Si–O bond distances ranging from 1.61–1.69 Å. Bi3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.19 Å) and two longer (2.34 Å) Bi–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Si4+, and one Bi3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Si4+, and one Bi3+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Si4+ atoms.},
doi = {10.17188/1291467},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}