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Materials Data on MoH12Pd(NO)4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1287967· OSTI ID:1287967

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.

Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1287967
Report Number(s):
mp-742819
Country of Publication:
United States
Language:
English

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