Materials Data on MgPPd5 by Materials Project

Dataset · Thu Jul 16 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1355237· OSTI ID:1355237

The Materials Project

MgPd5P crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded to twelve Pd atoms to form a mixture of corner and face-sharing MgPd12 cuboctahedra. There are four shorter (2.79 Å) and eight longer (2.86 Å) Mg–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent Mg atoms. In the second Pd site, Pd is bonded in a 4-coordinate geometry to two equivalent Mg and two equivalent P atoms. Both Pd–P bond lengths are 2.43 Å. P is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.

• 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: 1355237
• Report Number(s): mp-1025261
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
MgPPd5
Mg-P-Pd