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Title: Materials Data on Rb2Ag4Pd3(NO2)12 by Materials Project

Abstract

(RbAg2(NO2)6)2(Pd)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of six palladium molecules and one RbAg2(NO2)6 framework. In the RbAg2(NO2)6 framework, Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.36 Å. There are two inequivalent Ag+1.50+ sites. In the first Ag+1.50+ site, Ag+1.50+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.41–2.52 Å. In the second Ag+1.50+ site, Ag+1.50+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.41–2.61 Å. There are six inequivalent N+2.33+ sites. In the first N+2.33+ site, N+2.33+ 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+2.33+ site, N+2.33+ 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 third N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. Theremore » is one shorter (1.24 Å) and one longer (1.26 Å) N–O bond length. In the fourth N+2.33+ site, N+2.33+ 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 fifth N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.25 Å. In the sixth N+2.33+ site, N+2.33+ 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 single-bond geometry to one Rb1+ and one N+2.33+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Ag+1.50+, and one N+2.33+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one Ag+1.50+, and one N+2.33+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one N+2.33+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one Ag+1.50+, and one N+2.33+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one N+2.33+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Ag+1.50+ and one N+2.33+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one Rb1+ and one N+2.33+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ag+1.50+ and one N+2.33+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one Ag+1.50+, and one N+2.33+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Ag+1.50+, and one N+2.33+ atom. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Ag+1.50+, and one N+2.33+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-558305
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; Rb2Ag4Pd3(NO2)12; Ag-N-O-Pd-Rb
OSTI Identifier:
1270271
DOI:
10.17188/1270271

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Rb2Ag4Pd3(NO2)12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270271.
Persson, Kristin, & Project, Materials. Materials Data on Rb2Ag4Pd3(NO2)12 by Materials Project. United States. doi:10.17188/1270271.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Rb2Ag4Pd3(NO2)12 by Materials Project". United States. doi:10.17188/1270271. https://www.osti.gov/servlets/purl/1270271. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1270271,
title = {Materials Data on Rb2Ag4Pd3(NO2)12 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {(RbAg2(NO2)6)2(Pd)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of six palladium molecules and one RbAg2(NO2)6 framework. In the RbAg2(NO2)6 framework, Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.36 Å. There are two inequivalent Ag+1.50+ sites. In the first Ag+1.50+ site, Ag+1.50+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.41–2.52 Å. In the second Ag+1.50+ site, Ag+1.50+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.41–2.61 Å. There are six inequivalent N+2.33+ sites. In the first N+2.33+ site, N+2.33+ 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+2.33+ site, N+2.33+ 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 third N+2.33+ site, N+2.33+ 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 fourth N+2.33+ site, N+2.33+ 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 fifth N+2.33+ site, N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.25 Å. In the sixth N+2.33+ site, N+2.33+ 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 single-bond geometry to one Rb1+ and one N+2.33+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Ag+1.50+, and one N+2.33+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one Ag+1.50+, and one N+2.33+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one N+2.33+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one Ag+1.50+, and one N+2.33+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one N+2.33+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Ag+1.50+ and one N+2.33+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one Rb1+ and one N+2.33+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ag+1.50+ and one N+2.33+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one Ag+1.50+, and one N+2.33+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Ag+1.50+, and one N+2.33+ atom. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Ag+1.50+, and one N+2.33+ atom.},
doi = {10.17188/1270271},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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