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Title: Materials Data on LiVSiO4 by Materials Project

Abstract

LiVSiO4 is Ilmenite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.83–1.99 Å. V3+ is bonded to six O2- atoms to form VO6 octahedra that share corners with four equivalent VO6 octahedra, corners with four equivalent SiO6 octahedra, and edges with two equivalent SiO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are a spread of V–O bond distances ranging from 2.03–2.08 Å. Si4+ is bonded to six O2- atoms to form SiO6 octahedra that share corners with four equivalent VO6 octahedra, edges with two equivalent VO6 octahedra, and edges with two equivalent SiO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are a spread of Si–O bond distances ranging from 1.79–1.87 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, one V3+, and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded to one Li1+, two equivalent V3+, and one Si4+ atom to form a mixture of distorted edge andmore » corner-sharing OLiV2Si trigonal pyramids. In the third O2- site, O2- is bonded to one Li1+, one V3+, and two equivalent Si4+ atoms to form a mixture of distorted edge and corner-sharing OLiVSi2 trigonal pyramids.« less

Publication Date:
Other Number(s):
mp-767620
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LiVSiO4; Li-O-Si-V
OSTI Identifier:
1297740
DOI:
10.17188/1297740

Citation Formats

The Materials Project. Materials Data on LiVSiO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1297740.
The Materials Project. Materials Data on LiVSiO4 by Materials Project. United States. doi:10.17188/1297740.
The Materials Project. 2020. "Materials Data on LiVSiO4 by Materials Project". United States. doi:10.17188/1297740. https://www.osti.gov/servlets/purl/1297740. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1297740,
title = {Materials Data on LiVSiO4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiVSiO4 is Ilmenite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.83–1.99 Å. V3+ is bonded to six O2- atoms to form VO6 octahedra that share corners with four equivalent VO6 octahedra, corners with four equivalent SiO6 octahedra, and edges with two equivalent SiO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are a spread of V–O bond distances ranging from 2.03–2.08 Å. Si4+ is bonded to six O2- atoms to form SiO6 octahedra that share corners with four equivalent VO6 octahedra, edges with two equivalent VO6 octahedra, and edges with two equivalent SiO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are a spread of Si–O bond distances ranging from 1.79–1.87 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, one V3+, and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded to one Li1+, two equivalent V3+, and one Si4+ atom to form a mixture of distorted edge and corner-sharing OLiV2Si trigonal pyramids. In the third O2- site, O2- is bonded to one Li1+, one V3+, and two equivalent Si4+ atoms to form a mixture of distorted edge and corner-sharing OLiVSi2 trigonal pyramids.},
doi = {10.17188/1297740},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}

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