BaMnS2 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 7-coordinate geometry to three equivalent S(2) and four equivalent S(1) atoms. Mn(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form corner-sharing MnS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to four equivalent Ba(1) and two equivalent Mn(1) atoms to form a mixture of distorted face, corner, and edge-sharing SBa4Mn2 octahedra. The corner-sharing octahedral tilt angles are 64°. In the second S site, S(2) is bonded in a 5-coordinate geometry to three equivalent Ba(1) and two equivalent Mn(1) atoms.
BaMnS2 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 7-coordinate geometry to three equivalent S(2) and four equivalent S(1) atoms. There are two shorter (3.23 Å) and one longer (3.40 Å) Ba(1)-S(2) bond length. There are two shorter (3.22 Å) and two longer (3.26 Å) Ba(1)-S(1) bond lengths. Mn(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form corner-sharing MnS4 tetrahedra. There is one shorter (2.40 Å) and one longer (2.42 Å) Mn(1)-S(1) bond length. Both Mn(1)-S(2) bond lengths are 2.43 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to four equivalent Ba(1) and two equivalent Mn(1) atoms to form a mixture of distorted face, corner, and edge-sharing SBa4Mn2 octahedra. The corner-sharing octahedral tilt angles are 64°. In the second S site, S(2) is bonded in a 5-coordinate geometry to three equivalent Ba(1) and two equivalent Mn(1) atoms.