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Title: Materials Data on H6Pd(NO)4 by Materials Project

Abstract

PdH6(NO)4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one PdH6(NO)4 cluster. Pd2+ is bonded in a square co-planar geometry to four N atoms. There are two shorter (2.03 Å) and two longer (2.09 Å) Pd–N bond lengths. There are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to one Pd2+ and two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. In the second N site, N is bonded in a distorted trigonal non-coplanar geometry to one Pd2+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N atom. In the second O2- site, O2- is bonded in a single-bond geometrymore » to one N atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1104061
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; H6Pd(NO)4; H-N-O-Pd
OSTI Identifier:
1689317
DOI:
https://doi.org/10.17188/1689317

Citation Formats

The Materials Project. Materials Data on H6Pd(NO)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689317.
The Materials Project. Materials Data on H6Pd(NO)4 by Materials Project. United States. doi:https://doi.org/10.17188/1689317
The Materials Project. 2020. "Materials Data on H6Pd(NO)4 by Materials Project". United States. doi:https://doi.org/10.17188/1689317. https://www.osti.gov/servlets/purl/1689317. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1689317,
title = {Materials Data on H6Pd(NO)4 by Materials Project},
author = {The Materials Project},
abstractNote = {PdH6(NO)4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one PdH6(NO)4 cluster. Pd2+ is bonded in a square co-planar geometry to four N atoms. There are two shorter (2.03 Å) and two longer (2.09 Å) Pd–N bond lengths. There are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to one Pd2+ and two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. In the second N site, N is bonded in a distorted trigonal non-coplanar geometry to one Pd2+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N atom.},
doi = {10.17188/1689317},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}