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Title: Materials Data on V4N3 by Materials Project

Abstract

V4N3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent V+2.25+ sites. In the first V+2.25+ site, V+2.25+ is bonded in a square co-planar geometry to four N3- atoms. There are two shorter (2.01 Å) and two longer (2.04 Å) V–N bond lengths. In the second V+2.25+ site, V+2.25+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing VN5 square pyramids. There are one shorter (2.03 Å) and four longer (2.04 Å) V–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six V+2.25+ atoms to form a mixture of edge and corner-sharing NV6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second N3- site, N3- is bonded to six V+2.25+ atoms to form a mixture of edge and corner-sharing NV6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-1216464
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; V4N3; N-V
OSTI Identifier:
1655656
DOI:
https://doi.org/10.17188/1655656

Citation Formats

The Materials Project. Materials Data on V4N3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1655656.
The Materials Project. Materials Data on V4N3 by Materials Project. United States. doi:https://doi.org/10.17188/1655656
The Materials Project. 2020. "Materials Data on V4N3 by Materials Project". United States. doi:https://doi.org/10.17188/1655656. https://www.osti.gov/servlets/purl/1655656. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1655656,
title = {Materials Data on V4N3 by Materials Project},
author = {The Materials Project},
abstractNote = {V4N3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent V+2.25+ sites. In the first V+2.25+ site, V+2.25+ is bonded in a square co-planar geometry to four N3- atoms. There are two shorter (2.01 Å) and two longer (2.04 Å) V–N bond lengths. In the second V+2.25+ site, V+2.25+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing VN5 square pyramids. There are one shorter (2.03 Å) and four longer (2.04 Å) V–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six V+2.25+ atoms to form a mixture of edge and corner-sharing NV6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second N3- site, N3- is bonded to six V+2.25+ atoms to form a mixture of edge and corner-sharing NV6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1655656},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}