BaPr2MnS5 crystallizes in the tetragonal I4/mcm space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent S(2) and eight equivalent S(1) atoms. Pr(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. Mn(1) is bonded in a distorted tetrahedral geometry to four equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ba(1), three equivalent Pr(1), and one Mn(1) atom to form distorted SBa2Pr3Mn octahedra that share corners with four equivalent S(2)Ba2Pr4 octahedra, corners with ten equivalent S(1)Ba2Pr3Mn octahedra, edges with eight equivalent S(1)Ba2Pr3Mn octahedra, faces with two equivalent S(1)Ba2Pr3Mn octahedra, and faces with two equivalent S(2)Ba2Pr4 octahedra. The corner-sharing octahedral tilt angles range from 33-62°. In the second S site, S(2) is bonded to two equivalent Ba(1) and four equivalent Pr(1) atoms to form SBa2Pr4 octahedra that share corners with six equivalent S(2)Ba2Pr4 octahedra, corners with sixteen equivalent S(1)Ba2Pr3Mn octahedra, and faces with eight equivalent S(1)Ba2Pr3Mn octahedra. The corner-sharing octahedral tilt angles range from 0-62°.
BaPr2MnS5 crystallizes in the tetragonal I4/mcm space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent S(2) and eight equivalent S(1) atoms. Both Ba(1)-S(2) bond lengths are 3.44 Å. All Ba(1)-S(1) bond lengths are 3.43 Å. Pr(1) is bonded in a 8-coordinate geometry to two equivalent S(2) and six equivalent S(1) atoms. Both Pr(1)-S(2) bond lengths are 2.99 Å. There are two shorter (2.81 Å) and four longer (3.10 Å) Pr(1)-S(1) bond lengths. Mn(1) is bonded in a distorted tetrahedral geometry to four equivalent S(1) atoms. All Mn(1)-S(1) bond lengths are 2.33 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ba(1), three equivalent Pr(1), and one Mn(1) atom to form distorted SBa2Pr3Mn octahedra that share corners with four equivalent S(2)Ba2Pr4 octahedra, corners with ten equivalent S(1)Ba2Pr3Mn octahedra, edges with eight equivalent S(1)Ba2Pr3Mn octahedra, faces with two equivalent S(1)Ba2Pr3Mn octahedra, and faces with two equivalent S(2)Ba2Pr4 octahedra. The corner-sharing octahedral tilt angles range from 33-62°. In the second S site, S(2) is bonded to two equivalent Ba(1) and four equivalent Pr(1) atoms to form SBa2Pr4 octahedra that share corners with six equivalent S(2)Ba2Pr4 octahedra, corners with sixteen equivalent S(1)Ba2Pr3Mn octahedra, and faces with eight equivalent S(1)Ba2Pr3Mn octahedra. The corner-sharing octahedral tilt angles range from 0-62°.