Materials Data on CuS2 by Materials Project
CuS2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Cu3+ is bonded to four equivalent S+1.50- atoms to form corner-sharing CuS4 tetrahedra. There are two shorter (2.24 Å) and two longer (2.31 Å) Cu–S bond lengths. S+1.50- is bonded in a 2-coordinate geometry to two equivalent Cu3+ and one S+1.50- atom. The S–S bond length is 2.02 Å.
- 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:
- 1283928
- Report Number(s):
- mp-684604
- Country of Publication:
- United States
- Language:
- English
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