CuInSSe is Stannite-like structured and crystallizes in the orthorhombic I2_12_12_1 space group. Cu(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form CuSe2S2 tetrahedra that share corners with four equivalent Cu(1)Se2S2 tetrahedra and corners with eight equivalent In(1)Se2S2 tetrahedra. In(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form InSe2S2 tetrahedra that share corners with four equivalent In(1)Se2S2 tetrahedra and corners with eight equivalent Cu(1)Se2S2 tetrahedra. Se(1) is bonded to two equivalent Cu(1) and two equivalent In(1) atoms to form SeIn2Cu2 tetrahedra that share corners with four equivalent Se(1)In2Cu2 tetrahedra and corners with eight equivalent S(1)In2Cu2 tetrahedra. S(1) is bonded to two equivalent Cu(1) and two equivalent In(1) atoms to form SIn2Cu2 tetrahedra that share corners with four equivalent S(1)In2Cu2 tetrahedra and corners with eight equivalent Se(1)In2Cu2 tetrahedra.
CuInSSe is Stannite-like structured and crystallizes in the orthorhombic I2_12_12_1 space group. Cu(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form CuSe2S2 tetrahedra that share corners with four equivalent Cu(1)Se2S2 tetrahedra and corners with eight equivalent In(1)Se2S2 tetrahedra. Both Cu(1)-Se(1) bond lengths are 2.45 Å. Both Cu(1)-S(1) bond lengths are 2.32 Å. In(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form InSe2S2 tetrahedra that share corners with four equivalent In(1)Se2S2 tetrahedra and corners with eight equivalent Cu(1)Se2S2 tetrahedra. Both In(1)-Se(1) bond lengths are 2.63 Å. Both In(1)-S(1) bond lengths are 2.54 Å. Se(1) is bonded to two equivalent Cu(1) and two equivalent In(1) atoms to form SeIn2Cu2 tetrahedra that share corners with four equivalent Se(1)In2Cu2 tetrahedra and corners with eight equivalent S(1)In2Cu2 tetrahedra. S(1) is bonded to two equivalent Cu(1) and two equivalent In(1) atoms to form SIn2Cu2 tetrahedra that share corners with four equivalent S(1)In2Cu2 tetrahedra and corners with eight equivalent Se(1)In2Cu2 tetrahedra.