Materials Data on YbGe2Pd by Materials Project

Dataset · Wed Jul 15 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1652812· OSTI ID:1652812

YbPdGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 4-coordinate geometry to four equivalent Pd and ten Ge atoms. All Yb–Pd bond lengths are 3.25 Å. There are a spread of Yb–Ge bond distances ranging from 3.28–3.46 Å. In the second Yb site, Yb is bonded in a 2-coordinate geometry to six equivalent Pd and nine Ge atoms. There are four shorter (3.26 Å) and two longer (3.31 Å) Yb–Pd bond lengths. There are a spread of Yb–Ge bond distances ranging from 3.02–3.50 Å. Pd is bonded in a 10-coordinate geometry to five Yb and five Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.52–2.70 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to five Yb and two equivalent Pd atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Yb, two equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.42 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Yb, three equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.65 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: 1652812
• Report Number(s): mp-1189703
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-Pd-Yb
YbGe2Pd
crystal structure