Materials Data on KZnCuTe2 by Materials Project
KCuZnTe2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. All K–Te bond lengths are 3.71 Å. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra and edges with four equivalent ZnTe4 tetrahedra. All Cu–Te bond lengths are 2.71 Å. Zn2+ is bonded to four equivalent Te2- atoms to form ZnTe4 tetrahedra that share corners with four equivalent ZnTe4 tetrahedra and edges with four equivalent CuTe4 tetrahedra. All Zn–Te bond lengths are 2.71 Å. Te2- is bonded in a 8-coordinate geometry to four equivalent K1+, two equivalent Cu1+, and two equivalent Zn2+ 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:
- 1717502
- Report Number(s):
- mp-1223207
- Country of Publication:
- United States
- Language:
- English
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