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Title: Materials Data on Na2Pd(NO2)4 by Materials Project

Abstract

(Na(NO2)2)2Pd crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional and consists of four palladium molecules and one Na(NO2)2 framework. In the Na(NO2)2 framework, there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.42–2.79 Å. In the second Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.44–3.01 Å. There are four inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a distorted 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 distorted bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.25 Å. 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 shortermore » (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 distorted trigonal planar geometry to two equivalent Na1+ and one N3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two Na1+ and one N3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one N3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one N3+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Na1+ and one N3+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Na1+ and one N3+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two Na1+ and one N3+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and one N3+ atom.« less

Publication Date:
Other Number(s):
mp-558335
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; Na2Pd(NO2)4; N-Na-O-Pd
OSTI Identifier:
1270287
DOI:
https://doi.org/10.17188/1270287

Citation Formats

The Materials Project. Materials Data on Na2Pd(NO2)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270287.
The Materials Project. Materials Data on Na2Pd(NO2)4 by Materials Project. United States. doi:https://doi.org/10.17188/1270287
The Materials Project. 2020. "Materials Data on Na2Pd(NO2)4 by Materials Project". United States. doi:https://doi.org/10.17188/1270287. https://www.osti.gov/servlets/purl/1270287. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1270287,
title = {Materials Data on Na2Pd(NO2)4 by Materials Project},
author = {The Materials Project},
abstractNote = {(Na(NO2)2)2Pd crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional and consists of four palladium molecules and one Na(NO2)2 framework. In the Na(NO2)2 framework, there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.42–2.79 Å. In the second Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.44–3.01 Å. There are four inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a distorted 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 distorted bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.25 Å. 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 distorted trigonal planar geometry to two equivalent Na1+ and one N3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two Na1+ and one N3+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one N3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one N3+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Na1+ and one N3+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Na1+ and one N3+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two Na1+ and one N3+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and one N3+ atom.},
doi = {10.17188/1270287},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}