Materials Data on CdTe2Pb by Materials Project
CdPbTe2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cd2+ is bonded to six Te2- atoms to form CdTe6 octahedra that share corners with six equivalent CdTe6 octahedra, edges with four equivalent CdTe6 octahedra, and edges with eight equivalent PbTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cd–Te bond lengths are 3.18 Å. Pb2+ is bonded to six Te2- atoms to form PbTe6 octahedra that share corners with six equivalent PbTe6 octahedra, edges with four equivalent PbTe6 octahedra, and edges with eight equivalent CdTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pb–Te bond lengths are 3.18 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Cd2+ and four equivalent Pb2+ atoms to form a mixture of corner and edge-sharing TeCd2Pb4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Te2- site, Te2- is bonded to four equivalent Cd2+ and two equivalent Pb2+ atoms to form TeCd4Pb2 octahedra that share corners with six equivalent TeCd4Pb2 octahedra and edges with twelve TeCd2Pb4 octahedra. The corner-sharing octahedral tilt angles are 0°.
- 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:
- 1685279
- Report Number(s):
- mp-1226705
- Country of Publication:
- United States
- Language:
- English
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