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Title: Materials Data on K2Ag4Pt3(NO2)12 by Materials Project

Abstract

(KAg2(NO2)6)2(Pt)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of six platinum molecules and one KAg2(NO2)6 framework. In the KAg2(NO2)6 framework, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.82–3.26 Å. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.41–2.59 Å. In the second Ag2+ site, Ag2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.44–2.94 Å. There are six inequivalent N+1.67+ sites. In the first N+1.67+ site, N+1.67+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.25 Å) N–O bond length. In the second N+1.67+ site, N+1.67+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.26 Å) N–O bond length. In the third N+1.67+ site, N+1.67+ is bonded in a bent 120 degrees geometry to two O2- atoms. Theremore » is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. In the fourth N+1.67+ site, N+1.67+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.25 Å. In the fifth N+1.67+ site, N+1.67+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.26 Å) N–O bond length. In the sixth N+1.67+ site, N+1.67+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.25 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Ag2+, and one N+1.67+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Ag2+, and one N+1.67+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Ag2+ and one N+1.67+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one K1+, one Ag2+, and one N+1.67+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ag2+ and one N+1.67+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one N+1.67+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Ag2+, and one N+1.67+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Ag2+, and one N+1.67+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Ag2+, and one N+1.67+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Ag2+, and one N+1.67+ atom. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Ag2+, and one N+1.67+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one N+1.67+ atom.« less

Publication Date:
Other Number(s):
mp-557863
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; K2Ag4Pt3(NO2)12; Ag-K-N-O-Pt
OSTI Identifier:
1270053
DOI:
https://doi.org/10.17188/1270053

Citation Formats

The Materials Project. Materials Data on K2Ag4Pt3(NO2)12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270053.
The Materials Project. Materials Data on K2Ag4Pt3(NO2)12 by Materials Project. United States. doi:https://doi.org/10.17188/1270053
The Materials Project. 2020. "Materials Data on K2Ag4Pt3(NO2)12 by Materials Project". United States. doi:https://doi.org/10.17188/1270053. https://www.osti.gov/servlets/purl/1270053. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1270053,
title = {Materials Data on K2Ag4Pt3(NO2)12 by Materials Project},
author = {The Materials Project},
abstractNote = {(KAg2(NO2)6)2(Pt)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of six platinum molecules and one KAg2(NO2)6 framework. In the KAg2(NO2)6 framework, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.82–3.26 Å. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.41–2.59 Å. In the second Ag2+ site, Ag2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.44–2.94 Å. There are six inequivalent N+1.67+ sites. In the first N+1.67+ site, N+1.67+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.25 Å) N–O bond length. In the second N+1.67+ site, N+1.67+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.26 Å) N–O bond length. In the third N+1.67+ site, N+1.67+ 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 N+1.67+ site, N+1.67+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.25 Å. In the fifth N+1.67+ site, N+1.67+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.26 Å) N–O bond length. In the sixth N+1.67+ site, N+1.67+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.25 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Ag2+, and one N+1.67+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Ag2+, and one N+1.67+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Ag2+ and one N+1.67+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one K1+, one Ag2+, and one N+1.67+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ag2+ and one N+1.67+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one N+1.67+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Ag2+, and one N+1.67+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Ag2+, and one N+1.67+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Ag2+, and one N+1.67+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Ag2+, and one N+1.67+ atom. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Ag2+, and one N+1.67+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one N+1.67+ atom.},
doi = {10.17188/1270053},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}