Materials Data on NaCeCuTe4 by Materials Project
NaCeCuTe4 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight Te+1.75- atoms. There are four shorter (3.31 Å) and four longer (3.60 Å) Na–Te bond lengths. Ce4+ is bonded in a 9-coordinate geometry to nine Te+1.75- atoms. There are a spread of Ce–Te bond distances ranging from 3.30–3.35 Å. Cu2+ is bonded to four equivalent Te+1.75- atoms to form a mixture of edge and corner-sharing CuTe4 tetrahedra. All Cu–Te bond lengths are 2.72 Å. There are three inequivalent Te+1.75- sites. In the first Te+1.75- site, Te+1.75- is bonded in a 8-coordinate geometry to two equivalent Na1+, two equivalent Ce4+, and four equivalent Te+1.75- atoms. All Te–Te bond lengths are 3.16 Å. In the second Te+1.75- site, Te+1.75- is bonded in a 8-coordinate geometry to four equivalent Na1+ and four equivalent Cu2+ atoms. In the third Te+1.75- site, Te+1.75- is bonded in a 5-coordinate geometry to five equivalent Ce4+ 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:
- 1654782
- Report Number(s):
- mp-1210305
- Country of Publication:
- United States
- Language:
- English
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