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Title: Materials Data on MoH12Pd(NO)4 by Materials Project

Abstract

MoO4PdN4H12 is alpha Samarium-derived structured and crystallizes in the tetragonal I4_1/amd space group. The structure is zero-dimensional and consists of four molybdenum;tetrahydrate 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 2.07 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:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-742819
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; MoH12Pd(NO)4; H-Mo-N-O-Pd
OSTI Identifier:
1287967
DOI:
10.17188/1287967

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on MoH12Pd(NO)4 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1287967.
Persson, Kristin, & Project, Materials. Materials Data on MoH12Pd(NO)4 by Materials Project. United States. doi:10.17188/1287967.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on MoH12Pd(NO)4 by Materials Project". United States. doi:10.17188/1287967. https://www.osti.gov/servlets/purl/1287967. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1287967,
title = {Materials Data on MoH12Pd(NO)4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {MoO4PdN4H12 is alpha Samarium-derived structured and crystallizes in the tetragonal I4_1/amd space group. The structure is zero-dimensional and consists of four molybdenum;tetrahydrate 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 2.07 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 = {10.17188/1287967},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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