Materials Data on Y3(AgGe)4 by Materials Project

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

DOI:https://doi.org/10.17188/1715318· OSTI ID:1715318

Y3(AgGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to six equivalent Ag and six Ge atoms. There are four shorter (3.14 Å) and two longer (3.29 Å) Y–Ag bond lengths. There are four shorter (3.13 Å) and two longer (3.15 Å) Y–Ge bond lengths. In the second Y site, Y is bonded to six Ge atoms to form distorted edge-sharing YGe6 octahedra. All Y–Ge bond lengths are 3.15 Å. Ag is bonded in a 12-coordinate geometry to three equivalent Y and four Ge atoms. There are a spread of Ag–Ge bond distances ranging from 2.60–2.73 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Y and six equivalent Ag atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Y, two equivalent Ag, and one Ge atom. The Ge–Ge bond length is 2.61 Å.

• 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: 1715318
• Report Number(s): mp-1205784
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ag-Ge-Y
Y3(AgGe)4
crystal structure