RbFeS2 crystallizes in the orthorhombic Immm space group. Rb(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. Fe(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form edge-sharing FeS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to four equivalent Rb(1) and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing SRb4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 8-73°. In the second S site, S(2) is bonded in a 2-coordinate geometry to four equivalent Rb(1) and two equivalent Fe(1) atoms.
RbFeS2 crystallizes in the orthorhombic Immm space group. Rb(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. There are two shorter (3.34 Å) and two longer (3.41 Å) Rb(1)-S(1) bond lengths. All Rb(1)-S(2) bond lengths are 3.73 Å. Fe(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form edge-sharing FeS4 tetrahedra. Both Fe(1)-S(1) bond lengths are 2.21 Å. Both Fe(1)-S(2) bond lengths are 2.20 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to four equivalent Rb(1) and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing SRb4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 8-73°. In the second S site, S(2) is bonded in a 2-coordinate geometry to four equivalent Rb(1) and two equivalent Fe(1) atoms.