Materials Data on Pr3(AgGe)4 by Materials Project
Pr3Ag4Ge4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to six equivalent Ag and six Ge atoms. There are four shorter (3.21 Å) and two longer (3.35 Å) Pr–Ag bond lengths. There are four shorter (3.22 Å) and two longer (3.23 Å) Pr–Ge bond lengths. In the second Pr site, Pr is bonded to eight equivalent Ag and six Ge atoms to form distorted face-sharing PrAg8Ge6 octahedra. All Pr–Ag bond lengths are 3.65 Å. There are four shorter (3.22 Å) and two longer (3.23 Å) Pr–Ge bond lengths. Ag is bonded in a 12-coordinate geometry to five Pr, one Ag, and four Ge atoms. The Ag–Ag bond length is 2.82 Å. There are a spread of Ag–Ge bond distances ranging from 2.67–2.80 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Pr and six equivalent Ag atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Pr, two equivalent Ag, and one Ge atom. The Ge–Ge bond length is 2.63 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:
- 1728134
- Report Number(s):
- mp-1205486
- Country of Publication:
- United States
- Language:
- English
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