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Title: Materials Data on K3W2N5 by Materials Project

Abstract

K3W2N5 crystallizes in the tetragonal I4_1 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of K–N bond distances ranging from 2.72–3.33 Å. In the second K1+ site, K1+ is bonded in a distorted trigonal non-coplanar geometry to three N3- atoms. There are a spread of K–N bond distances ranging from 2.69–3.02 Å. In the third K1+ site, K1+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of K–N bond distances ranging from 2.89–3.31 Å. In the fourth K1+ site, K1+ is bonded in a distorted rectangular see-saw-like geometry to four N3- atoms. There are two shorter (2.71 Å) and two longer (2.77 Å) K–N bond lengths. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to four N3- atoms to form corner-sharing WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.77–1.95 Å. In the second W6+ site, W6+ is bonded to four N3- atoms to form corner-sharing WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.78–1.93 Å.more » There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one W6+ atom. In the second N3- site, N3- is bonded in a 5-coordinate geometry to four K1+ and one W6+ atom. In the third N3- site, N3- is bonded in a 2-coordinate geometry to three K1+ and two equivalent W6+ atoms. In the fourth N3- site, N3- is bonded in a distorted bent 150 degrees geometry to two K1+ and two equivalent W6+ atoms. In the fifth N3- site, N3- is bonded in a 5-coordinate geometry to three K1+ and two W6+ atoms.« less

Publication Date:
Other Number(s):
mp-1029938
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; K3W2N5; K-N-W
OSTI Identifier:
1677925
DOI:
https://doi.org/10.17188/1677925

Citation Formats

The Materials Project. Materials Data on K3W2N5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677925.
The Materials Project. Materials Data on K3W2N5 by Materials Project. United States. doi:https://doi.org/10.17188/1677925
The Materials Project. 2020. "Materials Data on K3W2N5 by Materials Project". United States. doi:https://doi.org/10.17188/1677925. https://www.osti.gov/servlets/purl/1677925. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1677925,
title = {Materials Data on K3W2N5 by Materials Project},
author = {The Materials Project},
abstractNote = {K3W2N5 crystallizes in the tetragonal I4_1 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of K–N bond distances ranging from 2.72–3.33 Å. In the second K1+ site, K1+ is bonded in a distorted trigonal non-coplanar geometry to three N3- atoms. There are a spread of K–N bond distances ranging from 2.69–3.02 Å. In the third K1+ site, K1+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of K–N bond distances ranging from 2.89–3.31 Å. In the fourth K1+ site, K1+ is bonded in a distorted rectangular see-saw-like geometry to four N3- atoms. There are two shorter (2.71 Å) and two longer (2.77 Å) K–N bond lengths. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to four N3- atoms to form corner-sharing WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.77–1.95 Å. In the second W6+ site, W6+ is bonded to four N3- atoms to form corner-sharing WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.78–1.93 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one W6+ atom. In the second N3- site, N3- is bonded in a 5-coordinate geometry to four K1+ and one W6+ atom. In the third N3- site, N3- is bonded in a 2-coordinate geometry to three K1+ and two equivalent W6+ atoms. In the fourth N3- site, N3- is bonded in a distorted bent 150 degrees geometry to two K1+ and two equivalent W6+ atoms. In the fifth N3- site, N3- is bonded in a 5-coordinate geometry to three K1+ and two W6+ atoms.},
doi = {10.17188/1677925},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}