Materials Data on PrNi9Ge4 by Materials Project

Dataset · Thu Apr 30 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1730338· OSTI ID:1730338

PrNi9Ge4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to sixteen Ni and eight equivalent Ge atoms. There are eight shorter (3.25 Å) and eight longer (3.40 Å) Pr–Ni bond lengths. All Pr–Ge bond lengths are 3.31 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 4-coordinate geometry to two equivalent Pr, three Ni, and four equivalent Ge atoms. There are one shorter (2.55 Å) and two longer (2.57 Å) Ni–Ni bond lengths. There are a spread of Ni–Ge bond distances ranging from 2.37–2.51 Å. In the second Ni site, Ni is bonded to eight Ni and four equivalent Ge atoms to form a mixture of corner and face-sharing NiNi8Ge4 cuboctahedra. All Ni–Ni bond lengths are 2.42 Å. All Ni–Ge bond lengths are 2.43 Å. In the third Ni site, Ni is bonded to two equivalent Pr, six Ni, and four equivalent Ge atoms to form a mixture of distorted corner and face-sharing NiPr2Ni6Ge4 cuboctahedra. There are two shorter (2.42 Å) and one longer (2.58 Å) Ni–Ni bond lengths. There are two shorter (2.53 Å) and two longer (2.59 Å) Ni–Ge bond lengths. Ge is bonded in a 12-coordinate geometry to two equivalent Pr and nine 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: 1730338
• Report Number(s): mp-1186507
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-Ni-Pr
PrNi9Ge4
crystal structure