Materials Data on Ca2PbAu2 by Materials Project
Ca2Au2Pb crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ca is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Pb atoms. There are two shorter (3.04 Å) and four longer (3.11 Å) Ca–Au bond lengths. All Ca–Pb bond lengths are 3.59 Å. Au is bonded in a 6-coordinate geometry to six equivalent Ca and two equivalent Pb atoms. Both Au–Pb bond lengths are 3.28 Å. Pb is bonded to eight equivalent Ca and four equivalent Au atoms to form a mixture of corner and face-sharing PbCa8Au4 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:
- 1195884
- Report Number(s):
- mp-20723
- Country of Publication:
- United States
- Language:
- English
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