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Title: Materials Data on Li2V3SnO8 by Materials Project

Abstract

Li2V3SnO8 is Spinel-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three equivalent LiO6 octahedra and corners with nine equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 54–62°. There are three shorter (2.01 Å) and one longer (2.03 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with three equivalent LiO4 tetrahedra, corners with three equivalent SnO4 tetrahedra, and edges with six equivalent VO6 octahedra. There are three shorter (2.11 Å) and three longer (2.13 Å) Li–O bond lengths. V4+ is bonded to six O2- atoms to form VO6 octahedra that share corners with three equivalent LiO4 tetrahedra, corners with three equivalent SnO4 tetrahedra, edges with two equivalent LiO6 octahedra, and edges with four equivalent VO6 octahedra. There are a spread of V–O bond distances ranging from 1.92–2.14 Å. Sn2+ is bonded to four O2- atoms to form SnO4 tetrahedra that share corners with three equivalent LiO6 octahedra and corners with nine equivalentmore » VO6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are three shorter (2.00 Å) and one longer (2.03 Å) Sn–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+ and three equivalent V4+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to two Li1+ and two equivalent V4+ atoms. In the third O2- site, O2- is bonded to one Li1+, two equivalent V4+, and one Sn2+ atom to form a mixture of distorted edge and corner-sharing OLiV2Sn tetrahedra. In the fourth O2- site, O2- is bonded to three equivalent V4+ and one Sn2+ atom to form a mixture of distorted edge and corner-sharing OV3Sn tetrahedra.« less

Publication Date:
Other Number(s):
mp-779083
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; Li2V3SnO8; Li-O-Sn-V
OSTI Identifier:
1306024
DOI:
10.17188/1306024

Citation Formats

The Materials Project. Materials Data on Li2V3SnO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1306024.
The Materials Project. Materials Data on Li2V3SnO8 by Materials Project. United States. doi:10.17188/1306024.
The Materials Project. 2020. "Materials Data on Li2V3SnO8 by Materials Project". United States. doi:10.17188/1306024. https://www.osti.gov/servlets/purl/1306024. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1306024,
title = {Materials Data on Li2V3SnO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2V3SnO8 is Spinel-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three equivalent LiO6 octahedra and corners with nine equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 54–62°. There are three shorter (2.01 Å) and one longer (2.03 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with three equivalent LiO4 tetrahedra, corners with three equivalent SnO4 tetrahedra, and edges with six equivalent VO6 octahedra. There are three shorter (2.11 Å) and three longer (2.13 Å) Li–O bond lengths. V4+ is bonded to six O2- atoms to form VO6 octahedra that share corners with three equivalent LiO4 tetrahedra, corners with three equivalent SnO4 tetrahedra, edges with two equivalent LiO6 octahedra, and edges with four equivalent VO6 octahedra. There are a spread of V–O bond distances ranging from 1.92–2.14 Å. Sn2+ is bonded to four O2- atoms to form SnO4 tetrahedra that share corners with three equivalent LiO6 octahedra and corners with nine equivalent VO6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are three shorter (2.00 Å) and one longer (2.03 Å) Sn–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+ and three equivalent V4+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to two Li1+ and two equivalent V4+ atoms. In the third O2- site, O2- is bonded to one Li1+, two equivalent V4+, and one Sn2+ atom to form a mixture of distorted edge and corner-sharing OLiV2Sn tetrahedra. In the fourth O2- site, O2- is bonded to three equivalent V4+ and one Sn2+ atom to form a mixture of distorted edge and corner-sharing OV3Sn tetrahedra.},
doi = {10.17188/1306024},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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