Materials Data on Li2VSiCO7 by Materials Project
Abstract
Li2VSiCO7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.98–2.15 Å. In the second Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.96–2.50 Å. V4+ is bonded to six O2- atoms to form VO6 octahedra that share corners with four equivalent SiO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.87–2.13 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 35–49°. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.26–1.32 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one V4+, and one C4+ atom. In the second O2- site,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-770348
- 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; Li2VSiCO7; C-Li-O-Si-V
- OSTI Identifier:
- 1299710
- DOI:
- https://doi.org/10.17188/1299710
Citation Formats
The Materials Project. Materials Data on Li2VSiCO7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1299710.
The Materials Project. Materials Data on Li2VSiCO7 by Materials Project. United States. doi:https://doi.org/10.17188/1299710
The Materials Project. 2020.
"Materials Data on Li2VSiCO7 by Materials Project". United States. doi:https://doi.org/10.17188/1299710. https://www.osti.gov/servlets/purl/1299710. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1299710,
title = {Materials Data on Li2VSiCO7 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2VSiCO7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.98–2.15 Å. In the second Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.96–2.50 Å. V4+ is bonded to six O2- atoms to form VO6 octahedra that share corners with four equivalent SiO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.87–2.13 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 35–49°. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.26–1.32 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one V4+, and one C4+ atom. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to two Li1+ and one C4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, one V4+, and one C4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one V4+, and one Si4+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to two Li1+, one V4+, and one Si4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Li1+, one V4+, and one Si4+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one V4+, and one Si4+ atom.},
doi = {10.17188/1299710},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}