Materials Data on CaPd3C by Materials Project
CaPd3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to twelve equivalent Pd atoms to form CaPd12 cuboctahedra that share corners with twelve equivalent CaPd12 cuboctahedra, faces with six equivalent CaPd12 cuboctahedra, and faces with eight equivalent CPd6 octahedra. All Ca–Pd bond lengths are 3.03 Å. Pd is bonded to four equivalent Ca and two equivalent C atoms to form a mixture of distorted corner, edge, and face-sharing PdCa4C2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Pd–C bond lengths are 2.14 Å. C is bonded to six equivalent Pd atoms to form CPd6 octahedra that share corners with six equivalent CPd6 octahedra and faces with eight equivalent CaPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
- 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:
- 1188988
- Report Number(s):
- mp-12572
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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