Materials Data on Y3NiGe2 by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1717605· OSTI ID:1717605

Y3NiGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to one Ni and five Ge atoms. The Y–Ni bond length is 2.84 Å. There are a spread of Y–Ge bond distances ranging from 2.98–3.19 Å. In the second Y site, Y is bonded in a 7-coordinate geometry to two equivalent Ni and five Ge atoms. Both Y–Ni bond lengths are 2.81 Å. There are a spread of Y–Ge bond distances ranging from 2.99–3.63 Å. In the third Y site, Y is bonded in a 8-coordinate geometry to three equivalent Ni and five Ge atoms. There are one shorter (2.95 Å) and two longer (3.02 Å) Y–Ni bond lengths. There are a spread of Y–Ge bond distances ranging from 2.99–3.07 Å. Ni is bonded in a 9-coordinate geometry to six Y and three Ge atoms. There are one shorter (2.48 Å) and two longer (2.50 Å) Ni–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Y and two equivalent Ni atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to eight Y and one Ni 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: 1717605
• Report Number(s): mp-1207820
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-Ni-Y
Y3NiGe2
crystal structure