Materials Data on DyAlCo4 by Materials Project
DyCo4Al crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Dy is bonded in a distorted hexagonal planar geometry to fourteen Co and four equivalent Al atoms. There are a spread of Dy–Co bond distances ranging from 2.85–3.21 Å. All Dy–Al bond lengths are 3.18 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Dy, four equivalent Co, and two equivalent Al atoms. All Co–Co bond lengths are 2.46 Å. Both Co–Al bond lengths are 2.52 Å. In the second Co site, Co is bonded to four equivalent Dy, six Co, and two equivalent Al atoms to form distorted CoDy4Al2Co6 cuboctahedra that share corners with four equivalent AlDy4Co8 cuboctahedra, corners with twelve equivalent CoDy4Al2Co6 cuboctahedra, edges with four equivalent AlDy4Co8 cuboctahedra, edges with six equivalent CoDy4Al2Co6 cuboctahedra, faces with four equivalent AlDy4Co8 cuboctahedra, and faces with six equivalent CoDy4Al2Co6 cuboctahedra. Both Co–Co bond lengths are 2.45 Å. Both Co–Al bond lengths are 2.49 Å. Al is bonded to four equivalent Dy and eight Co atoms to form distorted AlDy4Co8 cuboctahedra that share corners with eight equivalent CoDy4Al2Co6 cuboctahedra, corners with eight equivalent AlDy4Co8 cuboctahedra, edges with two equivalent AlDy4Co8 cuboctahedra, edges with eight equivalent CoDy4Al2Co6 cuboctahedra, faces with two equivalent AlDy4Co8 cuboctahedra, and faces with eight equivalent CoDy4Al2Co6 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:
- 1689073
- Report Number(s):
- mp-1225293
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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