Materials Data on Pr3(GaNi)2 by Materials Project

Dataset · Sun May 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1700733· OSTI ID:1700733

Pr3(NiGa)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 4-coordinate geometry to four equivalent Ni and five Ga atoms. There are a spread of Pr–Ni bond distances ranging from 2.83–3.32 Å. There are a spread of Pr–Ga bond distances ranging from 3.12–3.45 Å. In the second Pr site, Pr is bonded in a 9-coordinate geometry to four equivalent Ni and five Ga atoms. There are two shorter (3.14 Å) and two longer (3.16 Å) Pr–Ni bond lengths. There are a spread of Pr–Ga bond distances ranging from 3.08–3.21 Å. Ni is bonded in a 10-coordinate geometry to six Pr, one Ni, and three Ga atoms. The Ni–Ni bond length is 2.70 Å. There are one shorter (2.52 Å) and two longer (2.60 Å) Ni–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to seven Pr and two equivalent Ni atoms. In the second Ga site, Ga is bonded to eight Pr and four equivalent Ni atoms to form a mixture of distorted face, edge, and corner-sharing GaPr8Ni4 cuboctahedra.

• 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: 1700733
• Report Number(s): mp-1193804
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ga-Ni-Pr
Pr3(GaNi)2
crystal structure