Mn(NbS2)2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one S(1), two equivalent S(4), and three equivalent S(3) atoms to form a mixture of distorted corner and edge-sharing NbS6 octahedra. The corner-sharing octahedral tilt angles are 11°. In the second Nb site, Nb(2) is bonded to one S(2), two equivalent S(1), and three equivalent S(4) atoms to form a mixture of distorted corner and edge-sharing NbS6 octahedra. The corner-sharing octahedral tilt angles are 11°. Mn(1) is bonded in a 5-coordinate geometry to one S(1), two equivalent S(2), and two equivalent S(3) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Nb(1), two equivalent Nb(2), and one Mn(1) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Nb(2) and two equivalent Mn(1) atoms. In the third S site, S(3) is bonded in a 5-coordinate geometry to three equivalent Nb(1) and two equivalent Mn(1) atoms. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to two equivalent Nb(1) and three equivalent Nb(2) atoms.
Mn(NbS2)2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one S(1), two equivalent S(4), and three equivalent S(3) atoms to form a mixture of distorted corner and edge-sharing NbS6 octahedra. The corner-sharing octahedral tilt angles are 11°. The Nb(1)-S(1) bond length is 2.65 Å. Both Nb(1)-S(4) bond lengths are 2.60 Å. There is one shorter (2.48 Å) and two longer (2.50 Å) Nb(1)-S(3) bond lengths. In the second Nb site, Nb(2) is bonded to one S(2), two equivalent S(1), and three equivalent S(4) atoms to form a mixture of distorted corner and edge-sharing NbS6 octahedra. The corner-sharing octahedral tilt angles are 11°. The Nb(2)-S(2) bond length is 2.57 Å. Both Nb(2)-S(1) bond lengths are 2.55 Å. There is one shorter (2.52 Å) and two longer (2.53 Å) Nb(2)-S(4) bond lengths. Mn(1) is bonded in a 5-coordinate geometry to one S(1), two equivalent S(2), and two equivalent S(3) atoms. The Mn(1)-S(1) bond length is 2.49 Å. Both Mn(1)-S(2) bond lengths are 2.35 Å. Both Mn(1)-S(3) bond lengths are 2.87 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Nb(1), two equivalent Nb(2), and one Mn(1) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Nb(2) and two equivalent Mn(1) atoms. In the third S site, S(3) is bonded in a 5-coordinate geometry to three equivalent Nb(1) and two equivalent Mn(1) atoms. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to two equivalent Nb(1) and three equivalent Nb(2) atoms.