DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Sr2VN3 by Materials Project

Abstract

Sr2VN3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Sr–N bond distances ranging from 2.66–3.08 Å. In the second Sr2+ site, Sr2+ is bonded to seven N3- atoms to form distorted SrN7 pentagonal bipyramids that share corners with four equivalent SrN7 pentagonal bipyramids, a cornercorner with one VN4 tetrahedra, edges with three equivalent SrN7 pentagonal bipyramids, and edges with four equivalent VN4 tetrahedra. There are a spread of Sr–N bond distances ranging from 2.63–3.02 Å. V5+ is bonded to four N3- atoms to form VN4 tetrahedra that share a cornercorner with one SrN7 pentagonal bipyramid, corners with two equivalent VN4 tetrahedra, and edges with four equivalent SrN7 pentagonal bipyramids. There are a spread of V–N bond distances ranging from 1.78–1.85 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to five Sr2+ and one V5+ atom. In the second N3- site, N3- is bonded in a 2-coordinate geometry to four Sr2+ and two equivalent V5+ atoms. In the third N3-more » site, N3- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two equivalent V5+ atoms. In the fourth N3- site, N3- is bonded in a 6-coordinate geometry to five Sr2+ and one V5+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-17012
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sr2VN3; N-Sr-V
OSTI Identifier:
1192286
DOI:
https://doi.org/10.17188/1192286

Citation Formats

The Materials Project. Materials Data on Sr2VN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192286.
The Materials Project. Materials Data on Sr2VN3 by Materials Project. United States. doi:https://doi.org/10.17188/1192286
The Materials Project. 2020. "Materials Data on Sr2VN3 by Materials Project". United States. doi:https://doi.org/10.17188/1192286. https://www.osti.gov/servlets/purl/1192286. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1192286,
title = {Materials Data on Sr2VN3 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2VN3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Sr–N bond distances ranging from 2.66–3.08 Å. In the second Sr2+ site, Sr2+ is bonded to seven N3- atoms to form distorted SrN7 pentagonal bipyramids that share corners with four equivalent SrN7 pentagonal bipyramids, a cornercorner with one VN4 tetrahedra, edges with three equivalent SrN7 pentagonal bipyramids, and edges with four equivalent VN4 tetrahedra. There are a spread of Sr–N bond distances ranging from 2.63–3.02 Å. V5+ is bonded to four N3- atoms to form VN4 tetrahedra that share a cornercorner with one SrN7 pentagonal bipyramid, corners with two equivalent VN4 tetrahedra, and edges with four equivalent SrN7 pentagonal bipyramids. There are a spread of V–N bond distances ranging from 1.78–1.85 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to five Sr2+ and one V5+ atom. In the second N3- site, N3- is bonded in a 2-coordinate geometry to four Sr2+ and two equivalent V5+ atoms. In the third N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two equivalent V5+ atoms. In the fourth N3- site, N3- is bonded in a 6-coordinate geometry to five Sr2+ and one V5+ atom.},
doi = {10.17188/1192286},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}