skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

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

Dataset ·
DOI:https://doi.org/10.17188/1288441· OSTI ID:1288441

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.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1288441
Report Number(s):
mp-746364
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on MoH12Pd(NO)4 by Materials Project
Dataset · Thu May 11 00:00:00 EDT 2017 · OSTI ID:1288441

Materials Data on H29Pd3S3N9O10 by Materials Project
Dataset · Sat May 02 00:00:00 EDT 2020 · OSTI ID:1288441

Materials Data on H12Pd(I2N)4 by Materials Project
Dataset · Thu Apr 30 00:00:00 EDT 2020 · OSTI ID:1288441