Materials Data on CaPdPb by Materials Project
CaPdPb crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ca is bonded in a 11-coordinate geometry to five Pd and six equivalent Pb atoms. There are four shorter (3.13 Å) and one longer (3.21 Å) Ca–Pd bond lengths. There are two shorter (3.29 Å) and four longer (3.43 Å) Ca–Pb bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Ca and six equivalent Pb atoms. All Pd–Pb bond lengths are 2.91 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Ca and three equivalent Pb atoms. All Pd–Pb bond lengths are 2.96 Å. Pb is bonded in a distorted q6 geometry to six equivalent Ca and four Pd 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:
- 1281804
- Report Number(s):
- mp-672254
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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