Materials Data on PrIn4Ni by Materials Project

Dataset · Mon May 04 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1742250· OSTI ID:1742250

PrNiIn4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 5-coordinate geometry to two equivalent Ni and thirteen In atoms. Both Pr–Ni bond lengths are 3.46 Å. There are a spread of Pr–In bond distances ranging from 3.27–3.70 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.55–2.76 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to four equivalent Pr and six In atoms. There are four shorter (3.16 Å) and two longer (3.21 Å) In–In bond lengths. In the second In site, In is bonded in a 2-coordinate geometry to three equivalent Pr, one Ni, and four equivalent In atoms. In the third In site, In is bonded in a 12-coordinate geometry to three equivalent Pr, three equivalent Ni, and one In atom.

• 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: 1742250
• Report Number(s): mp-1102576
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
In-Ni-Pr
PrIn4Ni
crystal structure