Ba2MnS3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one S(3), three equivalent S(1), and three equivalent S(2) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(2), and four equivalent S(3) atoms. Mn(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form corner-sharing MnS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Ba(1), and two equivalent Mn(1) atoms. In the second S site, S(2) is bonded to two equivalent Ba(2), three equivalent Ba(1), and one Mn(1) atom to form a mixture of distorted face, corner, and edge-sharing SBa5Mn octahedra. The corner-sharing octahedral tilt angles range from 53-55°. In the third S site, S(3) is bonded to one Ba(1), four equivalent Ba(2), and one Mn(1) atom to form a mixture of distorted face, corner, and edge-sharing SBa5Mn octahedra. The corner-sharing octahedral tilt angles range from 23-55°.
Ba2MnS3 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one S(3), three equivalent S(1), and three equivalent S(2) atoms. The Ba(1)-S(3) bond length is 3.25 Å. There are two shorter (3.34 Å) and one longer (3.36 Å) Ba(1)-S(1) bond length. There are two shorter (3.12 Å) and one longer (3.36 Å) Ba(1)-S(2) bond length. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(2), and four equivalent S(3) atoms. The Ba(2)-S(1) bond length is 3.28 Å. Both Ba(2)-S(2) bond lengths are 3.29 Å. There are two shorter (3.19 Å) and two longer (3.20 Å) Ba(2)-S(3) bond lengths. Mn(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form corner-sharing MnS4 tetrahedra. The Mn(1)-S(2) bond length is 2.40 Å. The Mn(1)-S(3) bond length is 2.41 Å. Both Mn(1)-S(1) bond lengths are 2.50 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Ba(1), and two equivalent Mn(1) atoms. In the second S site, S(2) is bonded to two equivalent Ba(2), three equivalent Ba(1), and one Mn(1) atom to form a mixture of distorted face, corner, and edge-sharing SBa5Mn octahedra. The corner-sharing octahedral tilt angles range from 53-55°. In the third S site, S(3) is bonded to one Ba(1), four equivalent Ba(2), and one Mn(1) atom to form a mixture of distorted face, corner, and edge-sharing SBa5Mn octahedra. The corner-sharing octahedral tilt angles range from 23-55°.