Materials Data on Yb5(Ge5Ir2)2 by Materials Project
Yb5Ir4Ge10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 8-coordinate geometry to four equivalent Ir and twelve Ge atoms. All Yb–Ir bond lengths are 3.23 Å. There are eight shorter (2.98 Å) and four longer (3.31 Å) Yb–Ge bond lengths. In the second Yb site, Yb is bonded to four equivalent Ir and eight Ge atoms to form distorted face-sharing YbGe8Ir4 cuboctahedra. All Yb–Ir bond lengths are 3.14 Å. There are a spread of Yb–Ge bond distances ranging from 2.92–3.11 Å. In the third Yb site, Yb is bonded in a 12-coordinate geometry to four equivalent Ir and ten Ge atoms. All Yb–Ir bond lengths are 3.33 Å. There are a spread of Yb–Ge bond distances ranging from 3.27–3.41 Å. Ir is bonded in a 10-coordinate geometry to five Yb and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.45–2.56 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Yb, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.48 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Yb, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.62 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Yb, two equivalent Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.85 Å.
- 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:
- 1684544
- Report Number(s):
- mp-1199005
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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