Materials Data on Yb2PbAu2 by Materials Project
Yb2Au2Pb crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Pb atoms. There are two shorter (2.99 Å) and four longer (3.06 Å) Yb–Au bond lengths. All Yb–Pb bond lengths are 3.52 Å. In the second Yb site, Yb is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Pb atoms. There are two shorter (2.99 Å) and four longer (3.07 Å) Yb–Au bond lengths. All Yb–Pb bond lengths are 3.56 Å. Au is bonded in a 6-coordinate geometry to six Yb and two equivalent Pb atoms. Both Au–Pb bond lengths are 3.24 Å. Pb is bonded to eight Yb and four equivalent Au atoms to form a mixture of corner and face-sharing PbYb8Au4 cuboctahedra.
- 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:
- 1266472
- Report Number(s):
- mp-542245
- Country of Publication:
- United States
- Language:
- English
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