Zn4P6N12S crystallizes in the cubic I-43m space group. Zn(1) is bonded to three equivalent N(1) and one S(1) atom to form distorted ZnSN3 tetrahedra that share corners with three equivalent Zn(1)SN3 tetrahedra and corners with six equivalent P(1)N4 tetrahedra. P(1) is bonded to four equivalent N(1) atoms to form PN4 tetrahedra that share corners with four equivalent Zn(1)SN3 tetrahedra and corners with four equivalent P(1)N4 tetrahedra. N(1) is bonded in a trigonal planar geometry to one Zn(1) and two equivalent P(1) atoms. S(1) is bonded in a tetrahedral geometry to four equivalent Zn(1) atoms.
Zn4P6N12S crystallizes in the cubic I-43m space group. Zn(1) is bonded to three equivalent N(1) and one S(1) atom to form distorted ZnSN3 tetrahedra that share corners with three equivalent Zn(1)SN3 tetrahedra and corners with six equivalent P(1)N4 tetrahedra. All Zn(1)-N(1) bond lengths are 2.04 Å. The Zn(1)-S(1) bond length is 2.37 Å. P(1) is bonded to four equivalent N(1) atoms to form PN4 tetrahedra that share corners with four equivalent Zn(1)SN3 tetrahedra and corners with four equivalent P(1)N4 tetrahedra. All P(1)-N(1) bond lengths are 1.64 Å. N(1) is bonded in a trigonal planar geometry to one Zn(1) and two equivalent P(1) atoms. S(1) is bonded in a tetrahedral geometry to four equivalent Zn(1) atoms.