ZnMnSe2 is Chalcopyrite-like structured and crystallizes in the trigonal R3m space group. Mn(1) is bonded to one Se(1) and three equivalent Se(2) atoms to form MnSe4 tetrahedra that share corners with six equivalent Mn(1)Se4 tetrahedra and corners with six equivalent Zn(1)Se4 tetrahedra. Zn(1) is bonded to one Se(2) and three equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with six equivalent Mn(1)Se4 tetrahedra and corners with six equivalent Zn(1)Se4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Mn(1) and three equivalent Zn(1) atoms to form SeMnZn3 tetrahedra that share corners with six equivalent Se(2)Mn3Zn tetrahedra and corners with six equivalent Se(1)MnZn3 tetrahedra. In the second Se site, Se(2) is bonded to three equivalent Mn(1) and one Zn(1) atom to form SeMn3Zn tetrahedra that share corners with six equivalent Se(2)Mn3Zn tetrahedra and corners with six equivalent Se(1)MnZn3 tetrahedra.
ZnMnSe2 is Chalcopyrite-like structured and crystallizes in the trigonal R3m space group. Mn(1) is bonded to one Se(1) and three equivalent Se(2) atoms to form MnSe4 tetrahedra that share corners with six equivalent Mn(1)Se4 tetrahedra and corners with six equivalent Zn(1)Se4 tetrahedra. The Mn(1)-Se(1) bond length is 2.54 Å. All Mn(1)-Se(2) bond lengths are 2.53 Å. Zn(1) is bonded to one Se(2) and three equivalent Se(1) atoms to form ZnSe4 tetrahedra that share corners with six equivalent Mn(1)Se4 tetrahedra and corners with six equivalent Zn(1)Se4 tetrahedra. The Zn(1)-Se(2) bond length is 2.46 Å. All Zn(1)-Se(1) bond lengths are 2.49 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Mn(1) and three equivalent Zn(1) atoms to form SeMnZn3 tetrahedra that share corners with six equivalent Se(2)Mn3Zn tetrahedra and corners with six equivalent Se(1)MnZn3 tetrahedra. In the second Se site, Se(2) is bonded to three equivalent Mn(1) and one Zn(1) atom to form SeMn3Zn tetrahedra that share corners with six equivalent Se(2)Mn3Zn tetrahedra and corners with six equivalent Se(1)MnZn3 tetrahedra.