Materials Data on Cu2S by Materials Project
Cu2S crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a distorted trigonal planar geometry to three equivalent S2- atoms. All Cu–S bond lengths are 2.45 Å. In the second Cu1+ site, Cu1+ is bonded to five equivalent S2- atoms to form a mixture of distorted corner and edge-sharing CuS5 trigonal bipyramids. There are three shorter (2.45 Å) and two longer (2.68 Å) Cu–S bond lengths. S2- is bonded to eight Cu1+ atoms to form a mixture of corner and edge-sharing SCu8 hexagonal bipyramids.
- 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:
- 1267647
- Report Number(s):
- mp-553942
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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