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Title: Materials Data on K2Pt(NO2)4 by Materials Project

Abstract

K2Pt(NO2)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four platinum molecules and one K(NO2)2 framework. In the K(NO2)2 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.65–3.35 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.75–3.27 Å. There are four inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.25 Å. In the second N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. In the third N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. In the fourth N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2-more » atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one N3+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and one N3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent K1+ and one N3+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one N3+ atom. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one K1+ and one N3+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one N3+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one N3+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one N3+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-669498
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; K2Pt(NO2)4; K-N-O-Pt
OSTI Identifier:
1281642
DOI:
10.17188/1281642

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on K2Pt(NO2)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281642.
Persson, Kristin, & Project, Materials. Materials Data on K2Pt(NO2)4 by Materials Project. United States. doi:10.17188/1281642.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on K2Pt(NO2)4 by Materials Project". United States. doi:10.17188/1281642. https://www.osti.gov/servlets/purl/1281642. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1281642,
title = {Materials Data on K2Pt(NO2)4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {K2Pt(NO2)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four platinum molecules and one K(NO2)2 framework. In the K(NO2)2 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.65–3.35 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.75–3.27 Å. There are four inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.25 Å. In the second N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. In the third N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. In the fourth N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one N3+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+ and one N3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent K1+ and one N3+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one N3+ atom. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one K1+ and one N3+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one N3+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one N3+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one N3+ atom.},
doi = {10.17188/1281642},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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