Materials Data on PrMgNi4 by Materials Project

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

DOI:https://doi.org/10.17188/1189585· OSTI ID:1189585

The Materials Project

PrMgNi4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to four equivalent Pr and twelve equivalent Ni atoms. All Mg–Pr bond lengths are 3.10 Å. All Mg–Ni bond lengths are 2.96 Å. Pr is bonded in a 12-coordinate geometry to four equivalent Mg and twelve equivalent Ni atoms. All Pr–Ni bond lengths are 2.97 Å. Ni is bonded to three equivalent Mg, three equivalent Pr, and six equivalent Ni atoms to form a mixture of face, edge, and corner-sharing NiPr3Mg3Ni6 cuboctahedra. There are three shorter (2.49 Å) and three longer (2.56 Å) Ni–Ni bond lengths.

• 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: 1189585
• Report Number(s): mp-13436
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
PrMgNi4
Mg-Ni-Pr