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Materials Data on CoNiTe2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1665094· OSTI ID:1665094
CoNiTe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Co2+ is bonded to six equivalent Te2- atoms to form CoTe6 octahedra that share corners with twelve equivalent NiTe6 octahedra, edges with six equivalent CoTe6 octahedra, and faces with two equivalent NiTe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Co–Te bond lengths are 2.61 Å. Ni2+ is bonded to six equivalent Te2- atoms to form NiTe6 octahedra that share corners with twelve equivalent CoTe6 octahedra, edges with six equivalent NiTe6 octahedra, and faces with two equivalent CoTe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Ni–Te bond lengths are 2.66 Å. Te2- is bonded in a 6-coordinate geometry to three equivalent Co2+ and three equivalent Ni2+ 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:
1665094
Report Number(s):
mp-1226017
Country of Publication:
United States
Language:
English

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