U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K15W7N19 by Materials Project
Abstract
K15W7N19 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are sixteen 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 2.77–3.45 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 2.76–3.25 Å. In the third 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 2.80–3.09 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 2.67–2.98 Å. In the fifth 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 2.68–3.00 Å. In the sixth K1+ site, K1+ is bonded in a 3-coordinate geometry to four N3- atoms. There are a spread of K–N bond distances ranging from 2.74–3.33 Å. In the seventh K1+ site, K1+ is bonded in a 6-coordinate geometry to sixmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1030950
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; K15W7N19; K-N-W
- OSTI Identifier:
- 1730590
- DOI:
- https://doi.org/10.17188/1730590
Citation Formats
The Materials Project. Materials Data on K15W7N19 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1730590.
The Materials Project. Materials Data on K15W7N19 by Materials Project. United States. doi:https://doi.org/10.17188/1730590
The Materials Project. 2020.
"Materials Data on K15W7N19 by Materials Project". United States. doi:https://doi.org/10.17188/1730590. https://www.osti.gov/servlets/purl/1730590. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1730590,
title = {Materials Data on K15W7N19 by Materials Project},
author = {The Materials Project},
abstractNote = {K15W7N19 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are sixteen 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 2.77–3.45 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 2.76–3.25 Å. In the third 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 2.80–3.09 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 2.67–2.98 Å. In the fifth 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 2.68–3.00 Å. In the sixth K1+ site, K1+ is bonded in a 3-coordinate geometry to four N3- atoms. There are a spread of K–N bond distances ranging from 2.74–3.33 Å. In the seventh 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 2.77–3.15 Å. In the eighth 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 2.74–3.25 Å. In the ninth 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 2.78–3.36 Å. In the tenth 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 2.88–3.04 Å. In the eleventh K1+ site, K1+ is bonded in a distorted rectangular see-saw-like geometry to four N3- atoms. There are a spread of K–N bond distances ranging from 2.67–3.01 Å. In the twelfth 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 2.79–3.39 Å. In the thirteenth 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 2.71–3.05 Å. In the fourteenth K1+ site, K1+ is bonded in a 4-coordinate geometry to six N3- atoms. There are a spread of K–N bond distances ranging from 2.63–3.35 Å. In the fifteenth 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 2.84–3.42 Å. In the sixteenth K1+ site, K1+ is bonded in a hexagonal planar geometry to six N3- atoms. There are a spread of K–N bond distances ranging from 3.05–3.28 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 1.80–1.94 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 1.80–1.94 Å. In the third 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 1.80–1.94 Å. In the fourth 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. In the fifth 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 1.79–1.93 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 2-coordinate geometry to four K1+ and two W6+ atoms. In the third N3- site, N3- is bonded to four K1+ and one W6+ atom to form distorted corner-sharing NK4W trigonal bipyramids. In the fourth N3- site, N3- is bonded in a 4-coordinate geometry to two K1+ and two W6+ atoms. In the fifth N3- site, N3- is bonded in a 2-coordinate geometry to three K1+ and two W6+ atoms. In the sixth N3- site, N3- is bonded to four K1+ and one W6+ atom to form a mixture of distorted corner and edge-sharing NK4W trigonal bipyramids. In the seventh N3- site, N3- is bonded in a 1-coordinate geometry to four K1+ and one W6+ atom. In the eighth N3- site, N3- is bonded in a 6-coordinate geometry to four K1+ and two W6+ atoms. In the ninth N3- site, N3- is bonded in a 1-coordinate geometry to five K1+ and one W6+ atom. In the tenth N3- site, N3- is bonded in a 6-coordinate geometry to five K1+ and one W6+ atom. In the eleventh N3- site, N3- is bonded in a 2-coordinate geometry to three K1+ and two W6+ atoms. In the twelfth N3- site, N3- is bonded in a 4-coordinate geometry to four K1+ and one W6+ atom. In the thirteenth N3- site, N3- is bonded in a 2-coordinate geometry to three K1+ and two W6+ atoms. In the fourteenth N3- site, N3- is bonded in a 6-coordinate geometry to four K1+ and two W6+ atoms. In the fifteenth N3- site, N3- is bonded in a 6-coordinate geometry to five K1+ and one W6+ atom. In the sixteenth N3- site, N3- is bonded in a 4-coordinate geometry to three K1+ and two W6+ atoms. In the seventeenth N3- site, N3- is bonded in a 2-coordinate geometry to two K1+ and two W6+ atoms. In the eighteenth N3- site, N3- is bonded in a 6-coordinate geometry to five K1+ and one W6+ atom. In the nineteenth N3- site, N3- is bonded in a 5-coordinate geometry to four K1+ and one W6+ atom.},
doi = {10.17188/1730590},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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