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Title: Materials Data on Cs19(W2N5)6 by Materials Project

Abstract

Cs19(W2N5)6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are four inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to two equivalent N3- atoms. There are one shorter (3.09 Å) and one longer (3.11 Å) Cs–N bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to two equivalent N3- atoms. There are one shorter (3.10 Å) and one longer (3.17 Å) Cs–N bond lengths. In the third Cs1+ site, Cs1+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Cs–N bond distances ranging from 3.29–3.63 Å. In the fourth Cs1+ site, Cs1+ is bonded in a hexagonal planar geometry to six equivalent N3- atoms. All Cs–N bond lengths are 3.14 Å. There are two inequivalent W+5.92+ sites. In the first W+5.92+ site, W+5.92+ is bonded to four N3- atoms to form corner-sharing WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.79–1.92 Å. In the second W+5.92+ site, W+5.92+ is bonded to four N3- atoms to form corner-sharing WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.80–1.92 Å. There are fivemore » inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted linear geometry to two Cs1+ and two equivalent W+5.92+ atoms. In the second N3- site, N3- is bonded in a distorted linear geometry to one Cs1+ and two equivalent W+5.92+ atoms. In the third N3- site, N3- is bonded in a 1-coordinate geometry to four Cs1+ and one W+5.92+ atom. In the fourth N3- site, N3- is bonded in a 1-coordinate geometry to four Cs1+ and one W+5.92+ atom. In the fifth N3- site, N3- is bonded in a distorted linear geometry to one Cs1+ and two W+5.92+ atoms.« less

Publication Date:
Other Number(s):
mp-1228320
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; Cs19(W2N5)6; Cs-N-W
OSTI Identifier:
1684303
DOI:
https://doi.org/10.17188/1684303

Citation Formats

The Materials Project. Materials Data on Cs19(W2N5)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684303.
The Materials Project. Materials Data on Cs19(W2N5)6 by Materials Project. United States. doi:https://doi.org/10.17188/1684303
The Materials Project. 2020. "Materials Data on Cs19(W2N5)6 by Materials Project". United States. doi:https://doi.org/10.17188/1684303. https://www.osti.gov/servlets/purl/1684303. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1684303,
title = {Materials Data on Cs19(W2N5)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs19(W2N5)6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are four inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to two equivalent N3- atoms. There are one shorter (3.09 Å) and one longer (3.11 Å) Cs–N bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to two equivalent N3- atoms. There are one shorter (3.10 Å) and one longer (3.17 Å) Cs–N bond lengths. In the third Cs1+ site, Cs1+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Cs–N bond distances ranging from 3.29–3.63 Å. In the fourth Cs1+ site, Cs1+ is bonded in a hexagonal planar geometry to six equivalent N3- atoms. All Cs–N bond lengths are 3.14 Å. There are two inequivalent W+5.92+ sites. In the first W+5.92+ site, W+5.92+ is bonded to four N3- atoms to form corner-sharing WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.79–1.92 Å. In the second W+5.92+ site, W+5.92+ is bonded to four N3- atoms to form corner-sharing WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.80–1.92 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted linear geometry to two Cs1+ and two equivalent W+5.92+ atoms. In the second N3- site, N3- is bonded in a distorted linear geometry to one Cs1+ and two equivalent W+5.92+ atoms. In the third N3- site, N3- is bonded in a 1-coordinate geometry to four Cs1+ and one W+5.92+ atom. In the fourth N3- site, N3- is bonded in a 1-coordinate geometry to four Cs1+ and one W+5.92+ atom. In the fifth N3- site, N3- is bonded in a distorted linear geometry to one Cs1+ and two W+5.92+ atoms.},
doi = {10.17188/1684303},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}