Materials Data on Cu(IrS2)2 by Materials Project
CuIr2S4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ir+3.50+ is bonded to six equivalent S2- atoms to form IrS6 octahedra that share corners with six equivalent CuS4 tetrahedra and edges with six equivalent IrS6 octahedra. All Ir–S bond lengths are 2.38 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with twelve equivalent IrS6 octahedra. The corner-sharing octahedra tilt angles range from 57–59°. All Cu–S bond lengths are 2.33 Å. S2- is bonded to three equivalent Ir+3.50+ and one Cu1+ atom to form a mixture of distorted edge and corner-sharing SCuIr3 trigonal pyramids.
- 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:
- 1191009
- Report Number(s):
- mp-15065
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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