Materials Data on PrInNi by Materials Project

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

DOI:https://doi.org/10.17188/1706035· OSTI ID:1706035

PrNiIn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 11-coordinate geometry to five Ni and six In atoms. There are four shorter (3.04 Å) and one longer (3.13 Å) Pr–Ni bond lengths. There are two shorter (3.27 Å) and four longer (3.38 Å) Pr–In bond lengths. In the second Pr site, Pr is bonded in a 11-coordinate geometry to five Ni and six In atoms. There are four shorter (3.04 Å) and one longer (3.14 Å) Pr–Ni bond lengths. There are two shorter (3.26 Å) and four longer (3.38 Å) Pr–In bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three Pr and six In atoms. There are four shorter (2.74 Å) and two longer (2.75 Å) Ni–In bond lengths. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six Pr and three In atoms. There are two shorter (2.91 Å) and one longer (2.92 Å) Ni–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to six Pr and four Ni atoms. In the second In site, In is bonded in a 10-coordinate geometry to six Pr and four 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: 1706035
• Report Number(s): mp-1079387
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
In-Ni-Pr
PrInNi
crystal structure