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Title: Materials Data on SrWN3 by Materials Project

Abstract

SrWN3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight N+2.67- atoms. There are a spread of Sr–N bond distances ranging from 2.63–2.86 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to eight N+2.67- atoms. There are a spread of Sr–N bond distances ranging from 2.60–3.34 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to five N+2.67- atoms to form distorted corner-sharing WN5 trigonal bipyramids. There are a spread of W–N bond distances ranging from 1.80–2.13 Å. In the second W6+ site, 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 1.80–2.07 Å. There are six inequivalent N+2.67- sites. In the first N+2.67- site, N+2.67- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent W6+ atoms. In the second N+2.67- site, N+2.67- is bonded in a 5-coordinate geometry to two equivalent Sr2+, two W6+, and one N+2.67- atom. The N–N bond length is 1.45 Å. In the third N+2.67- site, N+2.67-more » is bonded in a 5-coordinate geometry to four Sr2+ and one W6+ atom. In the fourth N+2.67- site, N+2.67- is bonded in a 5-coordinate geometry to two Sr2+, two equivalent W6+, and one N+2.67- atom. In the fifth N+2.67- site, N+2.67- is bonded in a 4-coordinate geometry to four Sr2+ and one W6+ atom. In the sixth N+2.67- site, N+2.67- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr2+ and two W6+ atoms.« less

Publication Date:
Other Number(s):
mp-989625
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:
1316918
DOI:
https://doi.org/10.17188/1316918

Citation Formats

The Materials Project. Materials Data on SrWN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316918.
The Materials Project. Materials Data on SrWN3 by Materials Project. United States. doi:https://doi.org/10.17188/1316918
The Materials Project. 2020. "Materials Data on SrWN3 by Materials Project". United States. doi:https://doi.org/10.17188/1316918. https://www.osti.gov/servlets/purl/1316918. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1316918,
title = {Materials Data on SrWN3 by Materials Project},
author = {The Materials Project},
abstractNote = {SrWN3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight N+2.67- atoms. There are a spread of Sr–N bond distances ranging from 2.63–2.86 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to eight N+2.67- atoms. There are a spread of Sr–N bond distances ranging from 2.60–3.34 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to five N+2.67- atoms to form distorted corner-sharing WN5 trigonal bipyramids. There are a spread of W–N bond distances ranging from 1.80–2.13 Å. In the second W6+ site, 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 1.80–2.07 Å. There are six inequivalent N+2.67- sites. In the first N+2.67- site, N+2.67- is bonded in a 4-coordinate geometry to two Sr2+ and two equivalent W6+ atoms. In the second N+2.67- site, N+2.67- is bonded in a 5-coordinate geometry to two equivalent Sr2+, two W6+, and one N+2.67- atom. The N–N bond length is 1.45 Å. In the third N+2.67- site, N+2.67- is bonded in a 5-coordinate geometry to four Sr2+ and one W6+ atom. In the fourth N+2.67- site, N+2.67- is bonded in a 5-coordinate geometry to two Sr2+, two equivalent W6+, and one N+2.67- atom. In the fifth N+2.67- site, N+2.67- is bonded in a 4-coordinate geometry to four Sr2+ and one W6+ atom. In the sixth N+2.67- site, N+2.67- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr2+ and two W6+ atoms.},
doi = {10.17188/1316918},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}