Materials Data on Yb5(Ge5Ir2)2 by Materials Project

Dataset · Wed Apr 29 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1684544· OSTI ID:1684544

Yb5Ir4Ge10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 8-coordinate geometry to four equivalent Ir and twelve Ge atoms. All Yb–Ir bond lengths are 3.23 Å. There are eight shorter (2.98 Å) and four longer (3.31 Å) Yb–Ge bond lengths. In the second Yb site, Yb is bonded to four equivalent Ir and eight Ge atoms to form distorted face-sharing YbGe8Ir4 cuboctahedra. All Yb–Ir bond lengths are 3.14 Å. There are a spread of Yb–Ge bond distances ranging from 2.92–3.11 Å. In the third Yb site, Yb is bonded in a 12-coordinate geometry to four equivalent Ir and ten Ge atoms. All Yb–Ir bond lengths are 3.33 Å. There are a spread of Yb–Ge bond distances ranging from 3.27–3.41 Å. Ir is bonded in a 10-coordinate geometry to five Yb and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.45–2.56 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Yb, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.48 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Yb, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.62 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Yb, two equivalent Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.85 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: 1684544
• Report Number(s): mp-1199005
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-Ir-Yb
Yb5(Ge5Ir2)2
crystal structure