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

Title: Materials Data on SrCa2WN4 by Materials Project

Abstract

SrCa2WN4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Sr2+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Sr–N bond distances ranging from 2.58–3.04 Å. There are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Ca–N bond distances ranging from 2.42–2.90 Å. In the second Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Ca–N bond distances ranging from 2.37–2.96 Å. W6+ is bonded in a tetrahedral geometry to four N3- atoms. There is one shorter (1.88 Å) and three longer (1.89 Å) W–N bond length. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded to one Sr2+, three Ca2+, and one W6+ atom to form a mixture of distorted edge and corner-sharing NSrCa3W square pyramids. In the second N3- site, N3- is bonded in a 5-coordinate geometry to one Sr2+, three Ca2+, and one W6+ atom. In the third N3- site, N3- is bonded to one Sr2+, three Ca2+, and one W6+ atom to form a mixture ofmore » distorted edge and corner-sharing NSrCa3W trigonal bipyramids. In the fourth N3- site, N3- is bonded in a 6-coordinate geometry to two equivalent Sr2+, three Ca2+, and one W6+ atom.« less

Publication Date:
Other Number(s):
mp-567568
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; SrCa2WN4; Ca-N-Sr-W
OSTI Identifier:
1273933
DOI:
https://doi.org/10.17188/1273933

Citation Formats

The Materials Project. Materials Data on SrCa2WN4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1273933.
The Materials Project. Materials Data on SrCa2WN4 by Materials Project. United States. doi:https://doi.org/10.17188/1273933
The Materials Project. 2020. "Materials Data on SrCa2WN4 by Materials Project". United States. doi:https://doi.org/10.17188/1273933. https://www.osti.gov/servlets/purl/1273933. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1273933,
title = {Materials Data on SrCa2WN4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrCa2WN4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Sr2+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Sr–N bond distances ranging from 2.58–3.04 Å. There are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Ca–N bond distances ranging from 2.42–2.90 Å. In the second Ca2+ site, Ca2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Ca–N bond distances ranging from 2.37–2.96 Å. W6+ is bonded in a tetrahedral geometry to four N3- atoms. There is one shorter (1.88 Å) and three longer (1.89 Å) W–N bond length. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded to one Sr2+, three Ca2+, and one W6+ atom to form a mixture of distorted edge and corner-sharing NSrCa3W square pyramids. In the second N3- site, N3- is bonded in a 5-coordinate geometry to one Sr2+, three Ca2+, and one W6+ atom. In the third N3- site, N3- is bonded to one Sr2+, three Ca2+, and one W6+ atom to form a mixture of distorted edge and corner-sharing NSrCa3W trigonal bipyramids. In the fourth N3- site, N3- is bonded in a 6-coordinate geometry to two equivalent Sr2+, three Ca2+, and one W6+ atom.},
doi = {10.17188/1273933},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}