Materials Data on CaDy3 by Materials Project
CaDy3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca is bonded to twelve Dy atoms to form CaDy12 cuboctahedra that share corners with four equivalent CaDy12 cuboctahedra, corners with eight equivalent DyCa4Dy8 cuboctahedra, edges with eight equivalent CaDy12 cuboctahedra, edges with sixteen equivalent DyCa4Dy8 cuboctahedra, faces with four equivalent CaDy12 cuboctahedra, and faces with fourteen DyCa4Dy8 cuboctahedra. All Ca–Dy bond lengths are 3.60 Å. There are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Ca and eight Dy atoms to form DyCa4Dy8 cuboctahedra that share corners with twelve equivalent DyCa4Dy8 cuboctahedra, edges with eight equivalent CaDy12 cuboctahedra, edges with sixteen DyCa4Dy8 cuboctahedra, faces with four equivalent CaDy12 cuboctahedra, and faces with fourteen DyCa4Dy8 cuboctahedra. All Dy–Dy bond lengths are 3.60 Å. In the second Dy site, Dy is bonded to four equivalent Ca and eight equivalent Dy atoms to form DyCa4Dy8 cuboctahedra that share corners with four equivalent DyCa4Dy8 cuboctahedra, corners with eight equivalent CaDy12 cuboctahedra, edges with twenty-four DyCa4Dy8 cuboctahedra, faces with six equivalent CaDy12 cuboctahedra, and faces with twelve DyCa4Dy8 cuboctahedra.
- 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:
- 1725391
- Report Number(s):
- mp-1183497
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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