Materials Data on Y(CuS)2 by Materials Project
Y(CuS)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Y is bonded to six equivalent S atoms to form distorted YS6 octahedra that share corners with twelve equivalent CuS4 tetrahedra, edges with six equivalent YS6 octahedra, and edges with six equivalent CuS4 tetrahedra. All Y–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 YS6 octahedra, corners with six equivalent CuS4 tetrahedra, edges with three equivalent YS6 octahedra, and edges with three equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 25–53°. There are three shorter (2.32 Å) and one longer (2.51 Å) Cu–S bond lengths. S is bonded in a 7-coordinate geometry to three equivalent Y 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:
- 1350344
- Report Number(s):
- mp-1018642
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Y(CuS)3 by Materials Project
Materials Data on Dy(CuS)2 by Materials Project
Materials Data on YCuS2 by Materials Project
Dataset
·
Fri Jan 11 23:00:00 EST 2019
·
OSTI ID:1704129
Materials Data on Dy(CuS)2 by Materials Project
Dataset
·
Thu Jul 23 00:00:00 EDT 2020
·
OSTI ID:1350291
Materials Data on YCuS2 by Materials Project
Dataset
·
Sat Jul 18 00:00:00 EDT 2020
·
OSTI ID:1187187