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Materials Data on CdHgTe2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1758713· OSTI ID:1758713
HgCdTe2 is Lavarevi\'{c}ite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Hg2+ is bonded to four Te2- atoms to form HgTe4 tetrahedra that share corners with six equivalent HgTe4 tetrahedra and corners with six equivalent CdTe4 tetrahedra. All Hg–Te bond lengths are 2.88 Å. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with six equivalent HgTe4 tetrahedra and corners with six equivalent CdTe4 tetrahedra. There are one shorter (2.87 Å) and three longer (2.88 Å) Cd–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three equivalent Hg2+ and one Cd2+ atom to form corner-sharing TeCdHg3 tetrahedra. In the second Te2- site, Te2- is bonded to one Hg2+ and three equivalent Cd2+ atoms to form corner-sharing TeCd3Hg tetrahedra.
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:
1758713
Report Number(s):
mp-1226741
Country of Publication:
United States
Language:
English

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