U.S. Department of EnergyOffice of Scientific and Technical Information
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 = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}
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