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

Title: Materials Data on Re2Pd(NO2)4 by Materials Project

Abstract

Re2Pd(NO2)4 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Re2Pd(NO2)4 sheet oriented in the (0, 0, 1) direction. Re5+ is bonded to five O2- atoms to form corner-sharing ReO5 trigonal bipyramids. There are a spread of Re–O bond distances ranging from 1.72–2.11 Å. Pd2+ is bonded in a distorted square co-planar geometry to four N1+ atoms. There are two shorter (2.00 Å) and two longer (2.03 Å) Pd–N bond lengths. There are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a distorted single-bond geometry to one Pd2+ and one O2- atom. The N–O bond length is 1.25 Å. In the second N1+ site, N1+ is bonded in a distorted bent 120 degrees geometry to one Pd2+ and one O2- atom. The N–O bond length is 1.30 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in an L-shaped geometry to one Re5+ and one N1+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Re5+ and one N1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Re5+more » atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Re5+ atoms.« less

Publication Date:
Other Number(s):
mp-1210156
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; Re2Pd(NO2)4; N-O-Pd-Re
OSTI Identifier:
1662150
DOI:
https://doi.org/10.17188/1662150

Citation Formats

The Materials Project. Materials Data on Re2Pd(NO2)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662150.
The Materials Project. Materials Data on Re2Pd(NO2)4 by Materials Project. United States. doi:https://doi.org/10.17188/1662150
The Materials Project. 2020. "Materials Data on Re2Pd(NO2)4 by Materials Project". United States. doi:https://doi.org/10.17188/1662150. https://www.osti.gov/servlets/purl/1662150. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1662150,
title = {Materials Data on Re2Pd(NO2)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Re2Pd(NO2)4 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Re2Pd(NO2)4 sheet oriented in the (0, 0, 1) direction. Re5+ is bonded to five O2- atoms to form corner-sharing ReO5 trigonal bipyramids. There are a spread of Re–O bond distances ranging from 1.72–2.11 Å. Pd2+ is bonded in a distorted square co-planar geometry to four N1+ atoms. There are two shorter (2.00 Å) and two longer (2.03 Å) Pd–N bond lengths. There are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a distorted single-bond geometry to one Pd2+ and one O2- atom. The N–O bond length is 1.25 Å. In the second N1+ site, N1+ is bonded in a distorted bent 120 degrees geometry to one Pd2+ and one O2- atom. The N–O bond length is 1.30 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in an L-shaped geometry to one Re5+ and one N1+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Re5+ and one N1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Re5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Re5+ atoms.},
doi = {10.17188/1662150},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}