Materials Data on Dy(CuS)2 by Materials Project
Dy(CuS)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Dy is bonded to six equivalent S atoms to form distorted DyS6 octahedra that share corners with twelve equivalent CuS4 tetrahedra, edges with six equivalent DyS6 octahedra, and edges with six equivalent CuS4 tetrahedra. All Dy–S bond lengths are 2.84 Å. Cu is bonded to four equivalent S atoms to form distorted CuS4 tetrahedra that share corners with six equivalent DyS6 octahedra, corners with six equivalent CuS4 tetrahedra, edges with three equivalent DyS6 octahedra, and edges with three equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 25–53°. There are three shorter (2.33 Å) and one longer (2.51 Å) Cu–S bond lengths. S is bonded in a 7-coordinate geometry to three equivalent Dy and four equivalent Cu atoms.
- 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:
- 1350291
- Report Number(s):
- mp-1018631
- Country of Publication:
- United States
- Language:
- English
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