KInSe2 crystallizes in the tetragonal I-42d space group. K(1) is bonded to four equivalent Se(1) atoms to form distorted KSe4 trigonal pyramids that share corners with eight equivalent In(1)Se4 tetrahedra and corners with four equivalent K(1)Se4 trigonal pyramids. In(1) is bonded to four equivalent Se(1) atoms to form distorted InSe4 tetrahedra that share corners with four equivalent In(1)Se4 tetrahedra and corners with eight equivalent K(1)Se4 trigonal pyramids. Se(1) is bonded to two equivalent K(1) and two equivalent In(1) atoms to form distorted corner-sharing SeK2In2 trigonal pyramids.
KInSe2 crystallizes in the tetragonal I-42d space group. K(1) is bonded to four equivalent Se(1) atoms to form distorted KSe4 trigonal pyramids that share corners with eight equivalent In(1)Se4 tetrahedra and corners with four equivalent K(1)Se4 trigonal pyramids. All K(1)-Se(1) bond lengths are 3.29 Å. In(1) is bonded to four equivalent Se(1) atoms to form distorted InSe4 tetrahedra that share corners with four equivalent In(1)Se4 tetrahedra and corners with eight equivalent K(1)Se4 trigonal pyramids. All In(1)-Se(1) bond lengths are 2.63 Å. Se(1) is bonded to two equivalent K(1) and two equivalent In(1) atoms to form distorted corner-sharing SeK2In2 trigonal pyramids.