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Title: Materials Data on V3SnO8 by Materials Project

Abstract

V3SnO8 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent V+4.67+ sites. In the first V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form VO6 octahedra that share a cornercorner with one SnO6 octahedra, corners with two equivalent VO6 octahedra, an edgeedge with one VO6 octahedra, and edges with two equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 26–27°. There are a spread of V–O bond distances ranging from 1.85–2.10 Å. In the second V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form distorted VO6 octahedra that share a cornercorner with one SnO6 octahedra, corners with two equivalent VO6 octahedra, an edgeedge with one VO6 octahedra, and an edgeedge with one SnO6 octahedra. The corner-sharing octahedra tilt angles range from 18–27°. There are a spread of V–O bond distances ranging from 1.74–2.12 Å. In the third V+4.67+ site, V+4.67+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.68–2.38 Å. Sn2+ is bonded to six O2- atoms to form distorted SnO6 octahedra that share corners with two VO6 octahedra, corners with two equivalent SnO6 octahedra, and edgesmore » with three VO6 octahedra. The corner-sharing octahedra tilt angles range from 18–34°. There are a spread of Sn–O bond distances ranging from 1.99–2.26 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.67+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two V+4.67+ and two equivalent Sn2+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to two V+4.67+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.67+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two V+4.67+ and one Sn2+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V+4.67+ and one Sn2+ atom. In the seventh O2- site, O2- is bonded to three V+4.67+ and one Sn2+ atom to form distorted corner-sharing OV3Sn trigonal pyramids. In the eighth O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent V+4.67+ and one Sn2+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-778681
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; V3SnO8; O-Sn-V
OSTI Identifier:
1305691
DOI:
10.17188/1305691

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on V3SnO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1305691.
Persson, Kristin, & Project, Materials. Materials Data on V3SnO8 by Materials Project. United States. doi:10.17188/1305691.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on V3SnO8 by Materials Project". United States. doi:10.17188/1305691. https://www.osti.gov/servlets/purl/1305691. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1305691,
title = {Materials Data on V3SnO8 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {V3SnO8 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent V+4.67+ sites. In the first V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form VO6 octahedra that share a cornercorner with one SnO6 octahedra, corners with two equivalent VO6 octahedra, an edgeedge with one VO6 octahedra, and edges with two equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 26–27°. There are a spread of V–O bond distances ranging from 1.85–2.10 Å. In the second V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form distorted VO6 octahedra that share a cornercorner with one SnO6 octahedra, corners with two equivalent VO6 octahedra, an edgeedge with one VO6 octahedra, and an edgeedge with one SnO6 octahedra. The corner-sharing octahedra tilt angles range from 18–27°. There are a spread of V–O bond distances ranging from 1.74–2.12 Å. In the third V+4.67+ site, V+4.67+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.68–2.38 Å. Sn2+ is bonded to six O2- atoms to form distorted SnO6 octahedra that share corners with two VO6 octahedra, corners with two equivalent SnO6 octahedra, and edges with three VO6 octahedra. The corner-sharing octahedra tilt angles range from 18–34°. There are a spread of Sn–O bond distances ranging from 1.99–2.26 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.67+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two V+4.67+ and two equivalent Sn2+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to two V+4.67+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.67+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two V+4.67+ and one Sn2+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V+4.67+ and one Sn2+ atom. In the seventh O2- site, O2- is bonded to three V+4.67+ and one Sn2+ atom to form distorted corner-sharing OV3Sn trigonal pyramids. In the eighth O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent V+4.67+ and one Sn2+ atom.},
doi = {10.17188/1305691},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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