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Materials Data on TePb2Se by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1733973· OSTI ID:1733973
Pb2TeSe is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pb2+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form a mixture of corner and edge-sharing PbTe3Se3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pb–Te bond lengths are 3.26 Å. All Pb–Se bond lengths are 3.13 Å. Te2- is bonded to six equivalent Pb2+ atoms to form TePb6 octahedra that share corners with six equivalent SePb6 octahedra, edges with six equivalent TePb6 octahedra, and edges with six equivalent SePb6 octahedra. The corner-sharing octahedral tilt angles are 3°. Se2- is bonded to six equivalent Pb2+ atoms to form SePb6 octahedra that share corners with six equivalent TePb6 octahedra, edges with six equivalent TePb6 octahedra, and edges with six equivalent SePb6 octahedra. The corner-sharing octahedral tilt angles are 3°.
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:
1733973
Report Number(s):
mp-1217291
Country of Publication:
United States
Language:
English

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