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

Title: Materials Data on K2HgH4PtC6(N3O)2 by Materials Project

Abstract

K2PtHgC6H4(N3O)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to four N3- and one O2- atom. There are a spread of K–N bond distances ranging from 2.83–2.95 Å. The K–O bond length is 2.71 Å. Pt2- is bonded in a square co-planar geometry to four C+2.67+ atoms. There is two shorter (1.99 Å) and two longer (2.00 Å) Pt–C bond length. Hg2+ is bonded in a distorted square co-planar geometry to two equivalent C+2.67+ and two equivalent N3- atoms. Both Hg–C bond lengths are 2.03 Å. Both Hg–N bond lengths are 3.01 Å. There are three inequivalent C+2.67+ sites. In the first C+2.67+ site, C+2.67+ is bonded in a distorted linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.18 Å. In the second C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.18 Å. In the third C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Hg2+ and one N3- atom. The C–N bond length is 1.17 Å. There are three inequivalent N3- sites. In the first N3- site, N3-more » is bonded in a distorted single-bond geometry to one Hg2+ and one C+2.67+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent K1+ and one C+2.67+ atom. In the third N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent K1+ and one C+2.67+ atom. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted water-like geometry to one K1+ and two H1+ atoms.« less

Publication Date:
Other Number(s):
mp-1200735
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; K2HgH4PtC6(N3O)2; C-H-Hg-K-N-O-Pt
OSTI Identifier:
1667241
DOI:
https://doi.org/10.17188/1667241

Citation Formats

The Materials Project. Materials Data on K2HgH4PtC6(N3O)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1667241.
The Materials Project. Materials Data on K2HgH4PtC6(N3O)2 by Materials Project. United States. doi:https://doi.org/10.17188/1667241
The Materials Project. 2020. "Materials Data on K2HgH4PtC6(N3O)2 by Materials Project". United States. doi:https://doi.org/10.17188/1667241. https://www.osti.gov/servlets/purl/1667241. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1667241,
title = {Materials Data on K2HgH4PtC6(N3O)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K2PtHgC6H4(N3O)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to four N3- and one O2- atom. There are a spread of K–N bond distances ranging from 2.83–2.95 Å. The K–O bond length is 2.71 Å. Pt2- is bonded in a square co-planar geometry to four C+2.67+ atoms. There is two shorter (1.99 Å) and two longer (2.00 Å) Pt–C bond length. Hg2+ is bonded in a distorted square co-planar geometry to two equivalent C+2.67+ and two equivalent N3- atoms. Both Hg–C bond lengths are 2.03 Å. Both Hg–N bond lengths are 3.01 Å. There are three inequivalent C+2.67+ sites. In the first C+2.67+ site, C+2.67+ is bonded in a distorted linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.18 Å. In the second C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.18 Å. In the third C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Hg2+ and one N3- atom. The C–N bond length is 1.17 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to one Hg2+ and one C+2.67+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent K1+ and one C+2.67+ atom. In the third N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent K1+ and one C+2.67+ atom. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted water-like geometry to one K1+ and two H1+ atoms.},
doi = {10.17188/1667241},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}