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

Title: Materials Data on K13Na2W7N19 by Materials Project

Abstract

K13Na2W7N19 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are thirteen 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 2.72–3.30 Å. In the second 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 2.81–3.13 Å. In the third 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 2.78–3.35 Å. In the fourth K1+ site, K1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of K–N bond distances ranging from 2.76–2.97 Å. In the fifth K1+ site, K1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of K–N bond distances ranging from 2.85–3.15 Å. In the sixth K1+ site, K1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of K–N bond distances ranging from 2.69–3.21 Å. In the seventh K1+ site, K1+ is bonded in a 5-coordinate geometry to fivemore » N3- atoms. There are a spread of K–N bond distances ranging from 2.73–3.20 Å. In the eighth K1+ site, K1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of K–N bond distances ranging from 2.70–3.12 Å. In the ninth K1+ site, K1+ is bonded in a 4-coordinate geometry to five N3- atoms. There are a spread of K–N bond distances ranging from 2.74–3.34 Å. In the tenth K1+ site, K1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of K–N bond distances ranging from 2.87–3.15 Å. In the eleventh K1+ site, K1+ is bonded in a 3-coordinate geometry to five N3- atoms. There are a spread of K–N bond distances ranging from 2.72–3.47 Å. In the twelfth 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 2.71–3.17 Å. In the thirteenth 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 2.76–3.34 Å. There are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four N3- atoms to form distorted NaN4 tetrahedra that share corners with three WN4 tetrahedra and an edgeedge with one WN4 tetrahedra. There are a spread of Na–N bond distances ranging from 2.43–2.67 Å. In the second Na1+ site, Na1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Na–N bond lengths are 2.45 Å. In the third Na1+ site, Na1+ is bonded in a distorted linear geometry to two equivalent N3- atoms. Both Na–N bond lengths are 2.68 Å. There are seven 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 1.80–1.93 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 1.80–1.93 Å. In the third W6+ site, W6+ is bonded to four N3- atoms to form WN4 tetrahedra that share corners with two WN4 tetrahedra and an edgeedge with one NaN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.82–1.98 Å. In the fourth W6+ site, W6+ is bonded to four N3- atoms to form WN4 tetrahedra that share corners with two equivalent NaN4 tetrahedra and corners with three WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.80–1.91 Å. In the fifth W6+ site, W6+ is bonded to four N3- atoms to form WN4 tetrahedra that share a cornercorner with one NaN4 tetrahedra and corners with three WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.80–1.94 Å. In the sixth 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 1.82–1.98 Å. In the seventh 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 1.82–1.97 Å. There are nineteen inequivalent N3- sites. In the first N3- site, N3- is bonded in a 6-coordinate geometry to five K1+ and one W6+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to five K1+ and one W6+ atom. In the third N3- site, N3- is bonded in a 2-coordinate geometry to five K1+, one Na1+, and one W6+ atom. In the fourth N3- site, N3- is bonded in a 1-coordinate geometry to six K1+ and one W6+ atom. In the fifth N3- site, N3- is bonded to four K1+ and one W6+ atom to form distorted NK4W trigonal bipyramids that share corners with two equivalent NK2NaW2 trigonal bipyramids and edges with two NK4W trigonal bipyramids. In the sixth N3- site, N3- is bonded in a 5-coordinate geometry to three K1+ and two W6+ atoms. In the seventh N3- site, N3- is bonded in a 5-coordinate geometry to three K1+, one Na1+, and one W6+ atom. In the eighth N3- site, N3- is bonded in a 6-coordinate geometry to five K1+ and one W6+ atom. In the ninth N3- site, N3- is bonded in a 2-coordinate geometry to two K1+ and two W6+ atoms. In the tenth N3- site, N3- is bonded in a 5-coordinate geometry to three K1+, one Na1+, and one W6+ atom. In the eleventh N3- site, N3- is bonded in a 4-coordinate geometry to three K1+ and two W6+ atoms. In the twelfth N3- site, N3- is bonded in a 6-coordinate geometry to five K1+ and one W6+ atom. In the thirteenth N3- site, N3- is bonded in a distorted see-saw-like geometry to two K1+ and two W6+ atoms. In the fourteenth N3- site, N3- is bonded in a 6-coordinate geometry to five K1+ and one W6+ atom. In the fifteenth N3- site, N3- is bonded in a 2-coordinate geometry to three K1+ and two W6+ atoms. In the sixteenth N3- site, N3- is bonded to two K1+, one Na1+, and two W6+ atoms to form distorted NK2NaW2 trigonal bipyramids that share corners with three NK2NaW2 trigonal bipyramids and an edgeedge with one NK4W trigonal bipyramid. In the seventeenth N3- site, N3- is bonded to one K1+, two Na1+, and two W6+ atoms to form distorted corner-sharing NKNa2W2 trigonal bipyramids. In the eighteenth N3- site, N3- is bonded in a 2-coordinate geometry to three K1+ and two W6+ atoms. In the nineteenth N3- site, N3- is bonded in a 2-coordinate geometry to two K1+ and two W6+ atoms.« less

Publication Date:
Other Number(s):
mp-569918
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; K13Na2W7N19; K-N-Na-W
OSTI Identifier:
1275340
DOI:
10.17188/1275340

Citation Formats

The Materials Project. Materials Data on K13Na2W7N19 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275340.
The Materials Project. Materials Data on K13Na2W7N19 by Materials Project. United States. doi:10.17188/1275340.
The Materials Project. 2020. "Materials Data on K13Na2W7N19 by Materials Project". United States. doi:10.17188/1275340. https://www.osti.gov/servlets/purl/1275340. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1275340,
title = {Materials Data on K13Na2W7N19 by Materials Project},
author = {The Materials Project},
abstractNote = {K13Na2W7N19 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are thirteen 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 2.72–3.30 Å. In the second 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 2.81–3.13 Å. In the third 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 2.78–3.35 Å. In the fourth K1+ site, K1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of K–N bond distances ranging from 2.76–2.97 Å. In the fifth K1+ site, K1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of K–N bond distances ranging from 2.85–3.15 Å. In the sixth K1+ site, K1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of K–N bond distances ranging from 2.69–3.21 Å. In the seventh K1+ site, K1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of K–N bond distances ranging from 2.73–3.20 Å. In the eighth K1+ site, K1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of K–N bond distances ranging from 2.70–3.12 Å. In the ninth K1+ site, K1+ is bonded in a 4-coordinate geometry to five N3- atoms. There are a spread of K–N bond distances ranging from 2.74–3.34 Å. In the tenth K1+ site, K1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of K–N bond distances ranging from 2.87–3.15 Å. In the eleventh K1+ site, K1+ is bonded in a 3-coordinate geometry to five N3- atoms. There are a spread of K–N bond distances ranging from 2.72–3.47 Å. In the twelfth 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 2.71–3.17 Å. In the thirteenth 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 2.76–3.34 Å. There are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four N3- atoms to form distorted NaN4 tetrahedra that share corners with three WN4 tetrahedra and an edgeedge with one WN4 tetrahedra. There are a spread of Na–N bond distances ranging from 2.43–2.67 Å. In the second Na1+ site, Na1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Na–N bond lengths are 2.45 Å. In the third Na1+ site, Na1+ is bonded in a distorted linear geometry to two equivalent N3- atoms. Both Na–N bond lengths are 2.68 Å. There are seven 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 1.80–1.93 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 1.80–1.93 Å. In the third W6+ site, W6+ is bonded to four N3- atoms to form WN4 tetrahedra that share corners with two WN4 tetrahedra and an edgeedge with one NaN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.82–1.98 Å. In the fourth W6+ site, W6+ is bonded to four N3- atoms to form WN4 tetrahedra that share corners with two equivalent NaN4 tetrahedra and corners with three WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.80–1.91 Å. In the fifth W6+ site, W6+ is bonded to four N3- atoms to form WN4 tetrahedra that share a cornercorner with one NaN4 tetrahedra and corners with three WN4 tetrahedra. There are a spread of W–N bond distances ranging from 1.80–1.94 Å. In the sixth 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 1.82–1.98 Å. In the seventh 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 1.82–1.97 Å. There are nineteen inequivalent N3- sites. In the first N3- site, N3- is bonded in a 6-coordinate geometry to five K1+ and one W6+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to five K1+ and one W6+ atom. In the third N3- site, N3- is bonded in a 2-coordinate geometry to five K1+, one Na1+, and one W6+ atom. In the fourth N3- site, N3- is bonded in a 1-coordinate geometry to six K1+ and one W6+ atom. In the fifth N3- site, N3- is bonded to four K1+ and one W6+ atom to form distorted NK4W trigonal bipyramids that share corners with two equivalent NK2NaW2 trigonal bipyramids and edges with two NK4W trigonal bipyramids. In the sixth N3- site, N3- is bonded in a 5-coordinate geometry to three K1+ and two W6+ atoms. In the seventh N3- site, N3- is bonded in a 5-coordinate geometry to three K1+, one Na1+, and one W6+ atom. In the eighth N3- site, N3- is bonded in a 6-coordinate geometry to five K1+ and one W6+ atom. In the ninth N3- site, N3- is bonded in a 2-coordinate geometry to two K1+ and two W6+ atoms. In the tenth N3- site, N3- is bonded in a 5-coordinate geometry to three K1+, one Na1+, and one W6+ atom. In the eleventh N3- site, N3- is bonded in a 4-coordinate geometry to three K1+ and two W6+ atoms. In the twelfth N3- site, N3- is bonded in a 6-coordinate geometry to five K1+ and one W6+ atom. In the thirteenth N3- site, N3- is bonded in a distorted see-saw-like geometry to two K1+ and two W6+ atoms. In the fourteenth N3- site, N3- is bonded in a 6-coordinate geometry to five K1+ and one W6+ atom. In the fifteenth N3- site, N3- is bonded in a 2-coordinate geometry to three K1+ and two W6+ atoms. In the sixteenth N3- site, N3- is bonded to two K1+, one Na1+, and two W6+ atoms to form distorted NK2NaW2 trigonal bipyramids that share corners with three NK2NaW2 trigonal bipyramids and an edgeedge with one NK4W trigonal bipyramid. In the seventeenth N3- site, N3- is bonded to one K1+, two Na1+, and two W6+ atoms to form distorted corner-sharing NKNa2W2 trigonal bipyramids. In the eighteenth N3- site, N3- is bonded in a 2-coordinate geometry to three K1+ and two W6+ atoms. In the nineteenth N3- site, N3- is bonded in a 2-coordinate geometry to two K1+ and two W6+ atoms.},
doi = {10.17188/1275340},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

Dataset:

Save / Share: