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Title: Materials Data on Rb2PdC4N4O by Materials Project

Abstract

Rb2PdC4N4O crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to six N3- and one O2- atom. There are a spread of Rb–N bond distances ranging from 3.09–3.26 Å. The Rb–O bond length is 3.16 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to six N3- and two equivalent O2- atoms. There are a spread of Rb–N bond distances ranging from 3.06–3.18 Å. Both Rb–O bond lengths are 3.26 Å. Pd2+ is bonded in a square co-planar geometry to four C+2.50+ atoms. All Pd–C bond lengths are 2.00 Å. There are two inequivalent C+2.50+ sites. In the first C+2.50+ site, C+2.50+ is bonded in a distorted single-bond geometry to one Pd2+ and one N3- atom. The C–N bond length is 1.18 Å. In the second C+2.50+ site, C+2.50+ is bonded in a distorted single-bond geometry to one Pd2+ and one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C+2.50+ atom.more » In the second N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+, one C+2.50+, and one O2- atom. The N–O bond length is 3.08 Å. O2- is bonded in a 5-coordinate geometry to three Rb1+ and two equivalent N3- atoms.« less

Publication Date:
Other Number(s):
mp-1203396
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; Rb2PdC4N4O; C-N-O-Pd-Rb
OSTI Identifier:
1651498
DOI:
https://doi.org/10.17188/1651498

Citation Formats

The Materials Project. Materials Data on Rb2PdC4N4O by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1651498.
The Materials Project. Materials Data on Rb2PdC4N4O by Materials Project. United States. doi:https://doi.org/10.17188/1651498
The Materials Project. 2019. "Materials Data on Rb2PdC4N4O by Materials Project". United States. doi:https://doi.org/10.17188/1651498. https://www.osti.gov/servlets/purl/1651498. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1651498,
title = {Materials Data on Rb2PdC4N4O by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2PdC4N4O crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to six N3- and one O2- atom. There are a spread of Rb–N bond distances ranging from 3.09–3.26 Å. The Rb–O bond length is 3.16 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to six N3- and two equivalent O2- atoms. There are a spread of Rb–N bond distances ranging from 3.06–3.18 Å. Both Rb–O bond lengths are 3.26 Å. Pd2+ is bonded in a square co-planar geometry to four C+2.50+ atoms. All Pd–C bond lengths are 2.00 Å. There are two inequivalent C+2.50+ sites. In the first C+2.50+ site, C+2.50+ is bonded in a distorted single-bond geometry to one Pd2+ and one N3- atom. The C–N bond length is 1.18 Å. In the second C+2.50+ site, C+2.50+ is bonded in a distorted single-bond geometry to one Pd2+ and one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C+2.50+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+, one C+2.50+, and one O2- atom. The N–O bond length is 3.08 Å. O2- is bonded in a 5-coordinate geometry to three Rb1+ and two equivalent N3- atoms.},
doi = {10.17188/1651498},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}