Materials Data on Pr2In3Cu by Materials Project

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

DOI:https://doi.org/10.17188/1674659· OSTI ID:1674659

Pr2CuIn3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to two equivalent Cu and ten In atoms to form a mixture of distorted edge and face-sharing PrIn10Cu2 cuboctahedra. Both Pr–Cu bond lengths are 3.34 Å. There are a spread of Pr–In bond distances ranging from 3.41–3.58 Å. In the second Pr site, Pr is bonded to four equivalent Cu and eight In atoms to form a mixture of edge and face-sharing PrIn8Cu4 cuboctahedra. All Pr–Cu bond lengths are 3.39 Å. There are a spread of Pr–In bond distances ranging from 3.27–3.46 Å. Cu is bonded in a 9-coordinate geometry to six Pr and three In atoms. There are one shorter (2.68 Å) and two longer (2.72 Å) Cu–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to six Pr and three In atoms. There are two shorter (2.90 Å) and one longer (2.91 Å) In–In bond lengths. In the second In site, In is bonded in a 9-coordinate geometry to six Pr, two equivalent Cu, and one In atom. In the third In site, In is bonded in a 1-coordinate geometry to six Pr, one Cu, and two equivalent In 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: 1674659
• Report Number(s): mp-1219909
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cu-In-Pr
Pr2In3Cu
crystal structure