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Title: Materials Data on LiVSnO4 by Materials Project

Abstract

LiSnVO4 is Spinel-derived structured and crystallizes in the monoclinic P2 space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six SnO4 tetrahedra, edges with two LiO6 octahedra, and edges with four VO6 octahedra. There are a spread of Li–O bond distances ranging from 2.05–2.23 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six SnO4 tetrahedra, edges with two equivalent LiO6 octahedra, and edges with four VO6 octahedra. There are a spread of Li–O bond distances ranging from 2.06–2.22 Å. In the third Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six SnO4 tetrahedra, edges with two equivalent LiO6 octahedra, and edges with four VO6 octahedra. There are a spread of Li–O bond distances ranging from 2.06–2.21 Å. There are three inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six SnO4 tetrahedra, edges with two equivalent VO6 octahedra, and edges withmore » four LiO6 octahedra. There are a spread of V–O bond distances ranging from 1.99–2.08 Å. In the second V5+ site, V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six SnO4 tetrahedra, edges with two VO6 octahedra, and edges with four LiO6 octahedra. There are a spread of V–O bond distances ranging from 1.99–2.09 Å. In the third V5+ site, V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six SnO4 tetrahedra, edges with two equivalent VO6 octahedra, and edges with four LiO6 octahedra. There are a spread of V–O bond distances ranging from 2.01–2.08 Å. There are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded to four O2- atoms to form SnO4 tetrahedra that share corners with six LiO6 octahedra and corners with six VO6 octahedra. The corner-sharing octahedra tilt angles range from 54–61°. There are a spread of Sn–O bond distances ranging from 1.96–2.02 Å. In the second Sn2+ site, Sn2+ is bonded to four O2- atoms to form SnO4 tetrahedra that share corners with six LiO6 octahedra and corners with six VO6 octahedra. The corner-sharing octahedra tilt angles range from 53–60°. There are a spread of Sn–O bond distances ranging from 1.97–2.03 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two Li1+, one V5+, and one Sn2+ atom. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to two Li1+, one V5+, and one Sn2+ atom. In the third O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, two V5+, and one Sn2+ atom. In the fourth O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, two V5+, and one Sn2+ atom. In the fifth O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, two V5+, and one Sn2+ atom. In the sixth O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, two V5+, and one Sn2+ atom. In the seventh O2- site, O2- is bonded in a rectangular see-saw-like geometry to two Li1+, one V5+, and one Sn2+ atom. In the eighth O2- site, O2- is bonded in a rectangular see-saw-like geometry to two Li1+, one V5+, and one Sn2+ atom.« less

Publication Date:
Other Number(s):
mp-773600
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; LiVSnO4; Li-O-Sn-V
OSTI Identifier:
1302028
DOI:
10.17188/1302028

Citation Formats

The Materials Project. Materials Data on LiVSnO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1302028.
The Materials Project. Materials Data on LiVSnO4 by Materials Project. United States. doi:10.17188/1302028.
The Materials Project. 2020. "Materials Data on LiVSnO4 by Materials Project". United States. doi:10.17188/1302028. https://www.osti.gov/servlets/purl/1302028. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1302028,
title = {Materials Data on LiVSnO4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiSnVO4 is Spinel-derived structured and crystallizes in the monoclinic P2 space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six SnO4 tetrahedra, edges with two LiO6 octahedra, and edges with four VO6 octahedra. There are a spread of Li–O bond distances ranging from 2.05–2.23 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six SnO4 tetrahedra, edges with two equivalent LiO6 octahedra, and edges with four VO6 octahedra. There are a spread of Li–O bond distances ranging from 2.06–2.22 Å. In the third Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six SnO4 tetrahedra, edges with two equivalent LiO6 octahedra, and edges with four VO6 octahedra. There are a spread of Li–O bond distances ranging from 2.06–2.21 Å. There are three inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six SnO4 tetrahedra, edges with two equivalent VO6 octahedra, and edges with four LiO6 octahedra. There are a spread of V–O bond distances ranging from 1.99–2.08 Å. In the second V5+ site, V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six SnO4 tetrahedra, edges with two VO6 octahedra, and edges with four LiO6 octahedra. There are a spread of V–O bond distances ranging from 1.99–2.09 Å. In the third V5+ site, V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six SnO4 tetrahedra, edges with two equivalent VO6 octahedra, and edges with four LiO6 octahedra. There are a spread of V–O bond distances ranging from 2.01–2.08 Å. There are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded to four O2- atoms to form SnO4 tetrahedra that share corners with six LiO6 octahedra and corners with six VO6 octahedra. The corner-sharing octahedra tilt angles range from 54–61°. There are a spread of Sn–O bond distances ranging from 1.96–2.02 Å. In the second Sn2+ site, Sn2+ is bonded to four O2- atoms to form SnO4 tetrahedra that share corners with six LiO6 octahedra and corners with six VO6 octahedra. The corner-sharing octahedra tilt angles range from 53–60°. There are a spread of Sn–O bond distances ranging from 1.97–2.03 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two Li1+, one V5+, and one Sn2+ atom. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to two Li1+, one V5+, and one Sn2+ atom. In the third O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, two V5+, and one Sn2+ atom. In the fourth O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, two V5+, and one Sn2+ atom. In the fifth O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, two V5+, and one Sn2+ atom. In the sixth O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, two V5+, and one Sn2+ atom. In the seventh O2- site, O2- is bonded in a rectangular see-saw-like geometry to two Li1+, one V5+, and one Sn2+ atom. In the eighth O2- site, O2- is bonded in a rectangular see-saw-like geometry to two Li1+, one V5+, and one Sn2+ atom.},
doi = {10.17188/1302028},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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