ZnS is Moissanite-4H-like structured and crystallizes in the trigonal P3m1 space group. There are five inequivalent Zn sites. In the first Zn site, Zn(1,4,5,8,11,13,17,24) is bonded to one S(1,2,4,7,8,16,22,24) and three equivalent S(3,5,12,17,21,23) atoms to form corner-sharing ZnS4 tetrahedra. In the second Zn site, Zn(2,12,23) is bonded to one S(9,13) and three equivalent S(6,10,11,14,18,19) atoms to form corner-sharing ZnS4 tetrahedra. In the third Zn site, Zn(3,15,16,19,20,21) is bonded to one S(3,5,12,17,21,23) and three equivalent S(1,2,4,7,8,16,22,24) atoms to form corner-sharing ZnS4 tetrahedra. In the fourth Zn site, Zn(6,9,10,14,18,22) is bonded to four equivalent S(6,10,11,14,18,19) atoms to form corner-sharing ZnS4 tetrahedra. In the fifth Zn site, Zn(7) is bonded to one S(20) and three equivalent S(1,2,4,7,8,16,22,24) atoms to form corner-sharing ZnS4 tetrahedra. There are six inequivalent S sites. In the first S site, S(9,13) is bonded to one Zn(2,12,23) and three equivalent Zn(1,4,5,8,11,13,17,24) atoms to form corner-sharing SZn4 tetrahedra. In the second S site, S(15) is bonded to one Zn(2,12,23) and three equivalent Zn(6,9,10,14,18,22) atoms to form corner-sharing SZn4 tetrahedra. In the third S site, S(20) is bonded to one Zn(7) and three equivalent Zn(6,9,10,14,18,22) atoms to form corner-sharing SZn4 tetrahedra. In the fourth S site, S(1,2,4,7,8,16,22,24) is bonded to one Zn(1,4,5,8,11,13,17,24) and three equivalent Zn(7) atoms to form corner-sharing SZn4 tetrahedra. In the fifth S site, S(3,5,12,17,21,23) is bonded to one Zn(3,15,16,19,20,21) and three equivalent Zn(1,4,5,8,11,13,17,24) atoms to form corner-sharing SZn4 tetrahedra. In the sixth S site, S(6,10,11,14,18,19) is bonded to four equivalent Zn(6,9,10,14,18,22) atoms to form corner-sharing SZn4 tetrahedra.
ZnS is Moissanite-4H-like structured and crystallizes in the trigonal P3m1 space group. There are five inequivalent Zn sites. In the first Zn site, Zn(1,4,5,8,11,13,17,24) is bonded to one S(1,2,4,7,8,16,22,24) and three equivalent S(3,5,12,17,21,23) atoms to form corner-sharing ZnS4 tetrahedra. The Zn(1,4,5,8,11,13,17,24)-S(1,2,4,7,8,16,22,24) bond length is 2.34 Å. All Zn(1,4,5,8,11,13,17,24)-S(3,5,12,17,21,23) bond lengths are 2.33 Å. In the second Zn site, Zn(2,12,23) is bonded to one S(9,13) and three equivalent S(6,10,11,14,18,19) atoms to form corner-sharing ZnS4 tetrahedra. The Zn(2,12,23)-S(9,13) bond length is 2.33 Å. All Zn(2,12,23)-S(6,10,11,14,18,19) bond lengths are 2.33 Å. In the third Zn site, Zn(3,15,16,19,20,21) is bonded to one S(3,5,12,17,21,23) and three equivalent S(1,2,4,7,8,16,22,24) atoms to form corner-sharing ZnS4 tetrahedra. The Zn(3,15,16,19,20,21)-S(3,5,12,17,21,23) bond length is 2.33 Å. All Zn(3,15,16,19,20,21)-S(1,2,4,7,8,16,22,24) bond lengths are 2.33 Å. In the fourth Zn site, Zn(6,9,10,14,18,22) is bonded to four equivalent S(6,10,11,14,18,19) atoms to form corner-sharing ZnS4 tetrahedra. All Zn(6,9,10,14,18,22)-S(6,10,11,14,18,19) bond lengths are 2.33 Å. In the fifth Zn site, Zn(7) is bonded to one S(20) and three equivalent S(1,2,4,7,8,16,22,24) atoms to form corner-sharing ZnS4 tetrahedra. The Zn(7)-S(20) bond length is 2.33 Å. All Zn(7)-S(1,2,4,7,8,16,22,24) bond lengths are 2.33 Å. There are six inequivalent S sites. In the first S site, S(9,13) is bonded to one Zn(2,12,23) and three equivalent Zn(1,4,5,8,11,13,17,24) atoms to form corner-sharing SZn4 tetrahedra. All S(9,13)-Zn(1,4,5,8,11,13,17,24) bond lengths are 2.33 Å. In the second S site, S(15) is bonded to one Zn(2,12,23) and three equivalent Zn(6,9,10,14,18,22) atoms to form corner-sharing SZn4 tetrahedra. The S(15)-Zn(2,12,23) bond length is 2.33 Å. All S(15)-Zn(6,9,10,14,18,22) bond lengths are 2.33 Å. In the third S site, S(20) is bonded to one Zn(7) and three equivalent Zn(6,9,10,14,18,22) atoms to form corner-sharing SZn4 tetrahedra. All S(20)-Zn(6,9,10,14,18,22) bond lengths are 2.33 Å. In the fourth S site, S(1,2,4,7,8,16,22,24) is bonded to one Zn(1,4,5,8,11,13,17,24) and three equivalent Zn(7) atoms to form corner-sharing SZn4 tetrahedra. In the fifth S site, S(3,5,12,17,21,23) is bonded to one Zn(3,15,16,19,20,21) and three equivalent Zn(1,4,5,8,11,13,17,24) atoms to form corner-sharing SZn4 tetrahedra. In the sixth S site, S(6,10,11,14,18,19) is bonded to four equivalent Zn(6,9,10,14,18,22) atoms to form corner-sharing SZn4 tetrahedra.