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

Title: Materials Data on CrH12Pd(NO)4 by Materials Project

Abstract

CrO4PdN4H12 crystallizes in the tetragonal I4_1/amd space group. The structure is zero-dimensional and consists of four cq4 molecules and four PdN4H12 clusters. In each PdN4H12 cluster, Pd2+ is bonded in a rectangular see-saw-like geometry to four equivalent N3- atoms. All Pd–N bond lengths are 2.06 Å. N3- is bonded in a distorted trigonal non-coplanar geometry to one Pd2+ and three H1+ atoms. There is two shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.

Authors:
Publication Date:
Other Number(s):
mp-746364
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; CrH12Pd(NO)4; Cr-H-N-O-Pd
OSTI Identifier:
1288441
DOI:
https://doi.org/10.17188/1288441

Citation Formats

The Materials Project. Materials Data on CrH12Pd(NO)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288441.
The Materials Project. Materials Data on CrH12Pd(NO)4 by Materials Project. United States. doi:https://doi.org/10.17188/1288441
The Materials Project. 2020. "Materials Data on CrH12Pd(NO)4 by Materials Project". United States. doi:https://doi.org/10.17188/1288441. https://www.osti.gov/servlets/purl/1288441. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1288441,
title = {Materials Data on CrH12Pd(NO)4 by Materials Project},
author = {The Materials Project},
abstractNote = {CrO4PdN4H12 crystallizes in the tetragonal I4_1/amd space group. The structure is zero-dimensional and consists of four cq4 molecules and four PdN4H12 clusters. In each PdN4H12 cluster, Pd2+ is bonded in a rectangular see-saw-like geometry to four equivalent N3- atoms. All Pd–N bond lengths are 2.06 Å. N3- is bonded in a distorted trigonal non-coplanar geometry to one Pd2+ and three H1+ atoms. There is two shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.},
doi = {10.17188/1288441},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}