skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on KAuN12 by Materials Project

Abstract

KAuN12 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten N+0.33- atoms. There are a spread of K–N bond distances ranging from 3.00–3.31 Å. Au3+ is bonded in a rectangular see-saw-like geometry to four N+0.33- atoms. There are two shorter (2.06 Å) and two longer (2.09 Å) Au–N bond lengths. There are six inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a bent 120 degrees geometry to one Au3+ and one N+0.33- atom. The N–N bond length is 1.22 Å. In the second N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to two equivalent K1+ and one N+0.33- atom. The N–N bond length is 1.16 Å. In the third N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. The N–N bond length is 1.16 Å. In the fourth N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. The N–N bond length is 1.22 Å. In the fifth N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to one K1+, one Au3+, and one N+0.33- atom. In the sixth N+0.33- site, N+0.33- is bonded in a 3-coordinatemore » geometry to two equivalent K1+ and one N+0.33- atom.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1273759
Report Number(s):
mp-567218
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; KAuN12; Au-K-N

Citation Formats

The Materials Project. Materials Data on KAuN12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1273759.
The Materials Project. Materials Data on KAuN12 by Materials Project. United States. https://doi.org/10.17188/1273759
The Materials Project. 2020. "Materials Data on KAuN12 by Materials Project". United States. https://doi.org/10.17188/1273759. https://www.osti.gov/servlets/purl/1273759.
@article{osti_1273759,
title = {Materials Data on KAuN12 by Materials Project},
author = {The Materials Project},
abstractNote = {KAuN12 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten N+0.33- atoms. There are a spread of K–N bond distances ranging from 3.00–3.31 Å. Au3+ is bonded in a rectangular see-saw-like geometry to four N+0.33- atoms. There are two shorter (2.06 Å) and two longer (2.09 Å) Au–N bond lengths. There are six inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a bent 120 degrees geometry to one Au3+ and one N+0.33- atom. The N–N bond length is 1.22 Å. In the second N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to two equivalent K1+ and one N+0.33- atom. The N–N bond length is 1.16 Å. In the third N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. The N–N bond length is 1.16 Å. In the fourth N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. The N–N bond length is 1.22 Å. In the fifth N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to one K1+, one Au3+, and one N+0.33- atom. In the sixth N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to two equivalent K1+ and one N+0.33- atom.},
doi = {10.17188/1273759},
url = {https://www.osti.gov/biblio/1273759}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}