Materials Data on Tb2AlGe3 by Materials Project
Tb2AlGe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 7-coordinate geometry to two equivalent Al and nine Ge atoms. Both Tb–Al bond lengths are 3.37 Å. There are a spread of Tb–Ge bond distances ranging from 2.98–3.35 Å. In the second Tb site, Tb is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Tb–Ge bond distances ranging from 2.98–3.07 Å. Al is bonded to two equivalent Tb and four Ge atoms to form distorted AlTb2Ge4 tetrahedra that share corners with two equivalent GeTb4Al3 pentagonal bipyramids and edges with four equivalent AlTb2Ge4 tetrahedra. There are three shorter (2.57 Å) and one longer (2.69 Å) Al–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded to four Tb and three equivalent Al atoms to form distorted GeTb4Al3 pentagonal bipyramids that share corners with two equivalent AlTb2Ge4 tetrahedra and edges with six equivalent GeTb4Al3 pentagonal bipyramids. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Tb, one Al, and two equivalent Ge atoms. There are one shorter (2.59 Å) and one longer (2.66 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 4-coordinate geometry to six Tb and two equivalent Ge atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1276225
- Report Number(s):
- mp-571381
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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