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Materials Data on FeCuTe2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1757844· OSTI ID:1757844
CuFeTe2 is lead oxide-derived structured and crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one CuFeTe2 sheet oriented in the (0, 0, 1) direction. Fe3+ is bonded to four equivalent Te2- atoms to form FeTe4 tetrahedra that share corners with four equivalent FeTe4 tetrahedra and edges with four equivalent CuTe4 tetrahedra. All Fe–Te bond lengths are 2.59 Å. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra and edges with four equivalent FeTe4 tetrahedra. All Cu–Te bond lengths are 2.59 Å. Te2- is bonded in a 4-coordinate geometry to two equivalent Fe3+ and two equivalent Cu1+ 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:
1757844
Report Number(s):
mp-1224961
Country of Publication:
United States
Language:
English

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