Materials Data on Hg5Pd2 by Materials Project

Dataset · Wed Jul 15 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1205080· OSTI ID:1205080

The Materials Project

Pd2Hg5 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pd is bonded to two equivalent Pd and ten Hg atoms to form a mixture of edge, corner, and face-sharing PdHg10Pd2 cuboctahedra. Both Pd–Pd bond lengths are 3.00 Å. There are a spread of Pd–Hg bond distances ranging from 2.95–3.08 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 10-coordinate geometry to four equivalent Pd and six Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.00–3.25 Å. In the second Hg site, Hg is bonded in a distorted q6 geometry to four equivalent Pd and six Hg atoms. Both Hg–Hg bond lengths are 3.00 Å.

• 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: 1205080
• Report Number(s): mp-30721
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Hg5Pd2
Hg-Pd