Materials Data on Lu3Ni11Ge4 by Materials Project

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

DOI:https://doi.org/10.17188/1733091· OSTI ID:1733091

Lu3Ni11Ge4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu is bonded in a 11-coordinate geometry to ten Ni and five Ge atoms. There are a spread of Lu–Ni bond distances ranging from 2.88–2.94 Å. There are one shorter (2.79 Å) and four longer (3.06 Å) Lu–Ge bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Lu, six Ni, and three Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.56–2.74 Å. There are two shorter (2.56 Å) and one longer (2.63 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to two equivalent Lu, eight Ni, and two equivalent Ge atoms. There are two shorter (2.52 Å) and two longer (2.59 Å) Ni–Ni bond lengths. Both Ni–Ge bond lengths are 2.31 Å. In the third Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Lu, six Ni, and three equivalent Ge atoms. All Ni–Ge bond lengths are 2.38 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Lu and six equivalent Ni atoms. In the second Ge site, Ge is bonded to four equivalent Lu and eight Ni atoms to form a mixture of distorted face and corner-sharing GeLu4Ni8 cuboctahedra.

• 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: 1733091
• Report Number(s): mp-1211040
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-Lu-Ni
Lu3Ni11Ge4
crystal structure