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DOE OSTI2020

Materials Data on Cu2WSe4 by Materials Project

Cu2WSe4 crystallizes in the tetragonal I-42m space group. The structure is two-dimensional and consists of two Cu2WSe4 sheets oriented in the (0, 0, 1) direction. W6+ is bonded to four equivalent Se2- atoms to form WSe4 tetrahedra that share edges with four equivalent CuSe4 tetrahedra. All W–Se bond lengths are 2.38 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CuSe4 tetrahedra and edges with two equivalent WSe4 tetrahedra. All Cu–Se bond lengths are 2.44 Å. Se2- is bonded in a 3-coordinate geometry to one W6+ and two equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu2WSe4 by Materials Project

Cu2WSe4 crystallizes in the tetragonal P-42m space group. The structure is three-dimensional. W6+ is bonded to four equivalent Se2- atoms to form WSe4 tetrahedra that share corners with eight equivalent CuSe4 tetrahedra. All W–Se bond lengths are 2.37 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent WSe4 tetrahedra and corners with four equivalent CuSe4 tetrahedra. All Cu–Se bond lengths are 2.44 Å. Se2- is bonded in a trigonal non-coplanar geometry to one W6+ and two equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗