Materials Data on Pr3(GaNi2)2 by Materials Project

Dataset · Sat Jan 12 04:00:00 EST 2019

DOI:https://doi.org/10.17188/1654248· OSTI ID:1654248

Pr3(Ni2Ga)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 10-coordinate geometry to six Ni and four equivalent Ga atoms. There are a spread of Pr–Ni bond distances ranging from 2.79–2.99 Å. There are a spread of Pr–Ga bond distances ranging from 3.08–3.28 Å. In the second Pr site, Pr is bonded in a 2-coordinate geometry to eight Ni and six equivalent Ga atoms. There are a spread of Pr–Ni bond distances ranging from 2.79–3.17 Å. There are four shorter (3.36 Å) and two longer (3.40 Å) Pr–Ga bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to six Pr, two Ni, and two equivalent Ga atoms. There are one shorter (2.57 Å) and one longer (2.62 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.48 Å. In the second Ni site, Ni is bonded in a 10-coordinate geometry to four Pr, three Ni, and three equivalent Ga atoms. Both Ni–Ni bond lengths are 2.51 Å. There are two shorter (2.39 Å) and one longer (2.42 Å) Ni–Ga bond lengths. Ga is bonded in a 12-coordinate geometry to seven Pr and five Ni atoms.

• 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: 1654248
• Report Number(s): mp-1205884
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ga-Ni-Pr
Pr3(GaNi2)2
crystal structure