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Title: Materials Data on SrWN3 by Materials Project

Abstract

SrWN3 is Aluminum carbonitride-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr2+ is bonded in a 6-coordinate geometry to six N+2.67- atoms. There are a spread of Sr–N bond distances ranging from 2.59–2.78 Å. W6+ is bonded in a 5-coordinate geometry to five N+2.67- atoms. There are a spread of W–N bond distances ranging from 1.80–2.09 Å. There are three inequivalent N+2.67- sites. In the first N+2.67- site, N+2.67- is bonded to three equivalent Sr2+ and one W6+ atom to form distorted NSr3W trigonal pyramids that share corners with five equivalent NSr2WN tetrahedra, corners with six NSr3W trigonal pyramids, an edgeedge with one NSr2WN tetrahedra, and edges with three NSr3W trigonal pyramids. In the second N+2.67- site, N+2.67- is bonded to two equivalent Sr2+, one W6+, and one N+2.67- atom to form NSr2WN tetrahedra that share corners with two equivalent NSr2WN tetrahedra, corners with ten NSr3W trigonal pyramids, and an edgeedge with one NSr3W trigonal pyramid. The N–N bond length is 1.41 Å. In the third N+2.67- site, N+2.67- is bonded to one Sr2+ and three equivalent W6+ atoms to form distorted NSrW3 trigonal pyramids that share corners with five equivalent NSr2WN tetrahedra, cornersmore » with six NSr3W trigonal pyramids, and edges with three NSr3W trigonal pyramids.« less

Publication Date:
Other Number(s):
mp-989513
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; SrWN3; N-Sr-W
OSTI Identifier:
1316812
DOI:
https://doi.org/10.17188/1316812

Citation Formats

The Materials Project. Materials Data on SrWN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316812.
The Materials Project. Materials Data on SrWN3 by Materials Project. United States. doi:https://doi.org/10.17188/1316812
The Materials Project. 2020. "Materials Data on SrWN3 by Materials Project". United States. doi:https://doi.org/10.17188/1316812. https://www.osti.gov/servlets/purl/1316812. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1316812,
title = {Materials Data on SrWN3 by Materials Project},
author = {The Materials Project},
abstractNote = {SrWN3 is Aluminum carbonitride-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr2+ is bonded in a 6-coordinate geometry to six N+2.67- atoms. There are a spread of Sr–N bond distances ranging from 2.59–2.78 Å. W6+ is bonded in a 5-coordinate geometry to five N+2.67- atoms. There are a spread of W–N bond distances ranging from 1.80–2.09 Å. There are three inequivalent N+2.67- sites. In the first N+2.67- site, N+2.67- is bonded to three equivalent Sr2+ and one W6+ atom to form distorted NSr3W trigonal pyramids that share corners with five equivalent NSr2WN tetrahedra, corners with six NSr3W trigonal pyramids, an edgeedge with one NSr2WN tetrahedra, and edges with three NSr3W trigonal pyramids. In the second N+2.67- site, N+2.67- is bonded to two equivalent Sr2+, one W6+, and one N+2.67- atom to form NSr2WN tetrahedra that share corners with two equivalent NSr2WN tetrahedra, corners with ten NSr3W trigonal pyramids, and an edgeedge with one NSr3W trigonal pyramid. The N–N bond length is 1.41 Å. In the third N+2.67- site, N+2.67- is bonded to one Sr2+ and three equivalent W6+ atoms to form distorted NSrW3 trigonal pyramids that share corners with five equivalent NSr2WN tetrahedra, corners with six NSr3W trigonal pyramids, and edges with three NSr3W trigonal pyramids.},
doi = {10.17188/1316812},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}