Materials Data on Yb8Ge3Sb5 by Materials Project
Yb8Ge3Sb5 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 6-coordinate geometry to three Ge and four Sb atoms. There are two shorter (2.98 Å) and one longer (3.39 Å) Yb–Ge bond lengths. There are two shorter (3.16 Å) and two longer (3.22 Å) Yb–Sb bond lengths. In the second Yb site, Yb is bonded in a 6-coordinate geometry to six Sb atoms. There are a spread of Yb–Sb bond distances ranging from 3.10–3.73 Å. In the third Yb site, Yb is bonded to one Ge and six Sb atoms to form a mixture of distorted corner, edge, and face-sharing YbGeSb6 pentagonal bipyramids. The Yb–Ge bond length is 3.18 Å. There are a spread of Yb–Sb bond distances ranging from 3.15–3.68 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to five Yb and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.56 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Yb and four equivalent Ge atoms. There are three inequivalent Sb sites. In the first Sb site, Sb is bonded in a 8-coordinate geometry to eight Yb atoms. In the second Sb site, Sb is bonded in a 6-coordinate geometry to eight Yb atoms. In the third Sb site, Sb is bonded in a 9-coordinate geometry to eight Yb 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:
- 1274961
- Report Number(s):
- mp-569159
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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