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Title: Materials Data on V2Ni3Te3O16 by Materials Project

Abstract

V2Ni3Te3O16 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.69–2.31 Å. In the second V5+ site, V5+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.69–2.56 Å. There are two inequivalent Ni+3.33+ sites. In the first Ni+3.33+ site, Ni+3.33+ is bonded to six O2- atoms to form NiO6 octahedra that share edges with four equivalent TeO6 octahedra. There are a spread of Ni–O bond distances ranging from 2.08–2.11 Å. In the second Ni+3.33+ site, Ni+3.33+ is bonded to six O2- atoms to form NiO6 octahedra that share edges with two equivalent NiO6 octahedra and edges with two equivalent TeO6 octahedra. There are a spread of Ni–O bond distances ranging from 2.02–2.18 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded to six O2- atoms to form TeO6 octahedra that share edges with two equivalent NiO6 octahedra and edges with two equivalentmore » TeO6 octahedra. There are a spread of Te–O bond distances ranging from 1.90–2.03 Å. In the second Te4+ site, Te4+ is bonded to six O2- atoms to form TeO6 octahedra that share edges with four equivalent NiO6 octahedra. There are a spread of Te–O bond distances ranging from 1.91–2.01 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+, one Ni+3.33+, and one Te4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one V5+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ni+3.33+ and two equivalent Te4+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Ni+3.33+ and two equivalent Te4+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ni+3.33+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one V5+, one Ni+3.33+, and one Te4+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one V5+ and two equivalent Te4+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one V5+ and two equivalent Ni+3.33+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to one V5+, one Ni+3.33+, and one Te4+ atom. In the tenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ni+3.33+ and one Te4+ atom. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+, one Ni+3.33+, and one Te4+ atom. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to one V5+ and two equivalent Ni+3.33+ atoms.« less

Publication Date:
Other Number(s):
mp-770963
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; V2Ni3Te3O16; Ni-O-Te-V
OSTI Identifier:
1300210
DOI:
10.17188/1300210

Citation Formats

The Materials Project. Materials Data on V2Ni3Te3O16 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1300210.
The Materials Project. Materials Data on V2Ni3Te3O16 by Materials Project. United States. doi:10.17188/1300210.
The Materials Project. 2020. "Materials Data on V2Ni3Te3O16 by Materials Project". United States. doi:10.17188/1300210. https://www.osti.gov/servlets/purl/1300210. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1300210,
title = {Materials Data on V2Ni3Te3O16 by Materials Project},
author = {The Materials Project},
abstractNote = {V2Ni3Te3O16 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.69–2.31 Å. In the second V5+ site, V5+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.69–2.56 Å. There are two inequivalent Ni+3.33+ sites. In the first Ni+3.33+ site, Ni+3.33+ is bonded to six O2- atoms to form NiO6 octahedra that share edges with four equivalent TeO6 octahedra. There are a spread of Ni–O bond distances ranging from 2.08–2.11 Å. In the second Ni+3.33+ site, Ni+3.33+ is bonded to six O2- atoms to form NiO6 octahedra that share edges with two equivalent NiO6 octahedra and edges with two equivalent TeO6 octahedra. There are a spread of Ni–O bond distances ranging from 2.02–2.18 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded to six O2- atoms to form TeO6 octahedra that share edges with two equivalent NiO6 octahedra and edges with two equivalent TeO6 octahedra. There are a spread of Te–O bond distances ranging from 1.90–2.03 Å. In the second Te4+ site, Te4+ is bonded to six O2- atoms to form TeO6 octahedra that share edges with four equivalent NiO6 octahedra. There are a spread of Te–O bond distances ranging from 1.91–2.01 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+, one Ni+3.33+, and one Te4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one V5+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Ni+3.33+ and two equivalent Te4+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Ni+3.33+ and two equivalent Te4+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ni+3.33+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one V5+, one Ni+3.33+, and one Te4+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one V5+ and two equivalent Te4+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one V5+ and two equivalent Ni+3.33+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to one V5+, one Ni+3.33+, and one Te4+ atom. In the tenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ni+3.33+ and one Te4+ atom. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+, one Ni+3.33+, and one Te4+ atom. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to one V5+ and two equivalent Ni+3.33+ atoms.},
doi = {10.17188/1300210},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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