Materials Data on Ge(TePd4)2 by Materials Project

Dataset · Thu Apr 30 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1652159· OSTI ID:1652159

Ge(Pd4Te)2 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are eight inequivalent Pd sites. In the first Pd site, Pd is bonded in a 3-coordinate geometry to six Pd, one Ge, and two equivalent Te atoms. There are a spread of Pd–Pd bond distances ranging from 2.84–3.36 Å. The Pd–Ge bond length is 2.61 Å. There are one shorter (2.70 Å) and one longer (2.78 Å) Pd–Te bond lengths. In the second Pd site, Pd is bonded in a 3-coordinate geometry to six Pd and three Te atoms. There are a spread of Pd–Pd bond distances ranging from 2.86–3.24 Å. There are a spread of Pd–Te bond distances ranging from 2.70–2.79 Å. In the third Pd site, Pd is bonded in a 4-coordinate geometry to three equivalent Pd, one Ge, and three equivalent Te atoms. All Pd–Pd bond lengths are 3.09 Å. The Pd–Ge bond length is 2.58 Å. All Pd–Te bond lengths are 2.82 Å. In the fourth Pd site, Pd is bonded in a 1-coordinate geometry to seven Pd, one Ge, and three equivalent Te atoms. There are three shorter (2.82 Å) and one longer (2.87 Å) Pd–Pd bond lengths. The Pd–Ge bond length is 2.50 Å. All Pd–Te bond lengths are 2.86 Å. In the fifth Pd site, Pd is bonded in a 4-coordinate geometry to nine Pd, one Ge, and three equivalent Te atoms. All Pd–Pd bond lengths are 3.08 Å. The Pd–Ge bond length is 2.59 Å. All Pd–Te bond lengths are 2.81 Å. In the sixth Pd site, Pd is bonded in a 11-coordinate geometry to seven Pd and four Te atoms. All Pd–Pd bond lengths are 2.90 Å. There are one shorter (2.64 Å) and three longer (2.80 Å) Pd–Te bond lengths. In the seventh Pd site, Pd is bonded in a 2-coordinate geometry to nine Pd, two Ge, and two Te atoms. There are a spread of Pd–Pd bond distances ranging from 2.80–3.17 Å. There are one shorter (2.55 Å) and one longer (2.66 Å) Pd–Ge bond lengths. There are one shorter (2.84 Å) and one longer (2.92 Å) Pd–Te bond lengths. In the eighth Pd site, Pd is bonded in a 1-coordinate geometry to nine Pd, two Ge, and two Te atoms. There are one shorter (2.55 Å) and one longer (2.81 Å) Pd–Ge bond lengths. There are one shorter (2.69 Å) and one longer (2.93 Å) Pd–Te bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to ten Pd atoms. In the second Ge site, Ge is bonded in a body-centered cubic geometry to eight Pd atoms. There are two inequivalent Te sites. In the first Te site, Te is bonded in a distorted q6 geometry to ten Pd atoms. In the second Te site, Te is bonded in a 10-coordinate geometry to ten Pd atoms.

• 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: 1652159
• Report Number(s): mp-1224632
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge(TePd4)2
Ge-Pd-Te
crystal structure