RbFe3O5 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic Pm space group. There are four inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to one O(18), one O(8), two equivalent O(16), two equivalent O(2), and two equivalent O(7) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one O(13), one O(3), two equivalent O(15), two equivalent O(4), and two equivalent O(9) atoms. In the third Rb site, Rb(3) is bonded in a 7-coordinate geometry to one O(18), two equivalent O(12), two equivalent O(17), and two equivalent O(6) atoms. In the fourth Rb site, Rb(4) is bonded in a 8-coordinate geometry to one O(13), one O(3), two equivalent O(14), two equivalent O(19), and two equivalent O(5) atoms. There are twelve inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one O(19), one O(4), two equivalent O(20), and two equivalent O(3) atoms. In the second Fe site, Fe(2) is bonded to one O(20), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the third Fe site, Fe(3) is bonded to one O(1), one O(8), two equivalent O(2), and two equivalent O(6) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 5-53°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(3), two equivalent O(5), and two equivalent O(9) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the fifth Fe site, Fe(5) is bonded to one O(11), one O(5), two equivalent O(10), and two equivalent O(7) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the sixth Fe site, Fe(6) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(8) atoms to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 6-53°. In the seventh Fe site, Fe(7) is bonded to one O(14), one O(9), two equivalent O(10), and two equivalent O(13) atoms to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 6-53°. In the eighth Fe site, Fe(8) is bonded to one O(10), one O(16), two equivalent O(11), and two equivalent O(14) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the ninth Fe site, Fe(9) is bonded to one O(11), one O(18), two equivalent O(12), and two equivalent O(16) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 7-53°. In the tenth Fe site, Fe(10) is bonded to one O(13), one O(20), two equivalent O(15), and two equivalent O(19) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 9-53°. In the eleventh Fe site, Fe(11) is bonded to one O(1), one O(15), two equivalent O(17), and two equivalent O(20) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the twelfth Fe site, Fe(12) is bonded to one O(17), one O(2), two equivalent O(1), and two equivalent O(18) atoms to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 7-53°. There are twenty inequivalent O sites. In the first O site, O(1) is bonded to one Fe(11), one Fe(3), two equivalent Fe(12), and two equivalent Fe(2) atoms to form edge-sharing OFe6 octahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Rb(1), one Fe(12), and two equivalent Fe(3) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Rb(2), one Rb(4), one Fe(4), and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Rb(2), one Fe(1), and two equivalent Fe(2) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Rb(4), one Fe(5), and two equivalent Fe(4) atoms. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Rb(3), one Fe(2), and two equivalent Fe(3) atoms. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to two equivalent Rb(1), one Fe(6), and two equivalent Fe(5) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Rb(1), one Fe(3), and two equivalent Fe(6) atoms. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to two equivalent Rb(2), one Fe(7), and two equivalent Fe(4) atoms. In the tenth O site, O(10) is bonded to one Fe(4), one Fe(8), two equivalent Fe(5), and two equivalent Fe(7) atoms to form edge-sharing OFe6 octahedra. In the eleventh O site, O(11) is bonded to one Fe(5), one Fe(9), two equivalent Fe(6), and two equivalent Fe(8) atoms to form edge-sharing OFe6 octahedra. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to two equivalent Rb(3), one Fe(6), and two equivalent Fe(9) atoms. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Rb(2), one Rb(4), one Fe(10), and two equivalent Fe(7) atoms. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to two equivalent Rb(4), one Fe(7), and two equivalent Fe(8) atoms. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to two equivalent Rb(2), one Fe(11), and two equivalent Fe(10) atoms. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to two equivalent Rb(1), one Fe(8), and two equivalent Fe(9) atoms. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to two equivalent Rb(3), one Fe(12), and two equivalent Fe(11) atoms. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Rb(1), one Rb(3), one Fe(9), and two equivalent Fe(12) atoms. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to two equivalent Rb(4), one Fe(1), and two equivalent Fe(10) atoms. In the twentieth O site, O(20) is bonded to one Fe(10), one Fe(2), two equivalent Fe(1), and two equivalent Fe(11) atoms to form edge-sharing OFe6 octahedra.
RbFe3O5 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic Pm space group. There are four inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to one O(18), one O(8), two equivalent O(16), two equivalent O(2), and two equivalent O(7) atoms. The Rb(1)-O(18) bond length is 3.27 Å. The Rb(1)-O(8) bond length is 3.06 Å. Both Rb(1)-O(16) bond lengths are 2.94 Å. Both Rb(1)-O(2) bond lengths are 2.83 Å. Both Rb(1)-O(7) bond lengths are 3.01 Å. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one O(13), one O(3), two equivalent O(15), two equivalent O(4), and two equivalent O(9) atoms. The Rb(2)-O(13) bond length is 3.25 Å. The Rb(2)-O(3) bond length is 3.06 Å. Both Rb(2)-O(15) bond lengths are 2.97 Å. Both Rb(2)-O(4) bond lengths are 3.03 Å. Both Rb(2)-O(9) bond lengths are 2.83 Å. In the third Rb site, Rb(3) is bonded in a 7-coordinate geometry to one O(18), two equivalent O(12), two equivalent O(17), and two equivalent O(6) atoms. The Rb(3)-O(18) bond length is 3.04 Å. Both Rb(3)-O(12) bond lengths are 2.83 Å. Both Rb(3)-O(17) bond lengths are 3.06 Å. Both Rb(3)-O(6) bond lengths are 2.97 Å. In the fourth Rb site, Rb(4) is bonded in a 8-coordinate geometry to one O(13), one O(3), two equivalent O(14), two equivalent O(19), and two equivalent O(5) atoms. The Rb(4)-O(13) bond length is 3.08 Å. The Rb(4)-O(3) bond length is 3.25 Å. Both Rb(4)-O(14) bond lengths are 3.01 Å. Both Rb(4)-O(19) bond lengths are 2.83 Å. Both Rb(4)-O(5) bond lengths are 2.94 Å. There are twelve inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one O(19), one O(4), two equivalent O(20), and two equivalent O(3) atoms. The Fe(1)-O(19) bond length is 1.93 Å. The Fe(1)-O(4) bond length is 2.00 Å. Both Fe(1)-O(20) bond lengths are 2.48 Å. Both Fe(1)-O(3) bond lengths are 1.95 Å. In the second Fe site, Fe(2) is bonded to one O(20), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. The Fe(2)-O(20) bond length is 2.09 Å. The Fe(2)-O(6) bond length is 1.96 Å. Both Fe(2)-O(1) bond lengths are 2.21 Å. Both Fe(2)-O(4) bond lengths are 2.01 Å. In the third Fe site, Fe(3) is bonded to one O(1), one O(8), two equivalent O(2), and two equivalent O(6) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 5-53°. The Fe(3)-O(1) bond length is 2.23 Å. The Fe(3)-O(8) bond length is 1.98 Å. Both Fe(3)-O(2) bond lengths are 2.04 Å. Both Fe(3)-O(6) bond lengths are 2.08 Å. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(3), two equivalent O(5), and two equivalent O(9) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 6°. The Fe(4)-O(10) bond length is 2.19 Å. The Fe(4)-O(3) bond length is 1.99 Å. Both Fe(4)-O(5) bond lengths are 2.08 Å. Both Fe(4)-O(9) bond lengths are 2.05 Å. In the fifth Fe site, Fe(5) is bonded to one O(11), one O(5), two equivalent O(10), and two equivalent O(7) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. The Fe(5)-O(11) bond length is 2.10 Å. The Fe(5)-O(5) bond length is 1.96 Å. Both Fe(5)-O(10) bond lengths are 2.21 Å. Both Fe(5)-O(7) bond lengths are 2.01 Å. In the sixth Fe site, Fe(6) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(8) atoms to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 6-53°. The Fe(6)-O(12) bond length is 1.95 Å. The Fe(6)-O(7) bond length is 2.02 Å. Both Fe(6)-O(11) bond lengths are 2.41 Å. Both Fe(6)-O(8) bond lengths are 1.96 Å. In the seventh Fe site, Fe(7) is bonded to one O(14), one O(9), two equivalent O(10), and two equivalent O(13) atoms to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 6-53°. The Fe(7)-O(14) bond length is 2.02 Å. The Fe(7)-O(9) bond length is 1.95 Å. Both Fe(7)-O(10) bond lengths are 2.42 Å. Both Fe(7)-O(13) bond lengths are 1.96 Å. In the eighth Fe site, Fe(8) is bonded to one O(10), one O(16), two equivalent O(11), and two equivalent O(14) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 6°. The Fe(8)-O(10) bond length is 2.10 Å. The Fe(8)-O(16) bond length is 1.96 Å. Both Fe(8)-O(11) bond lengths are 2.21 Å. Both Fe(8)-O(14) bond lengths are 2.01 Å. In the ninth Fe site, Fe(9) is bonded to one O(11), one O(18), two equivalent O(12), and two equivalent O(16) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 7-53°. The Fe(9)-O(11) bond length is 2.20 Å. The Fe(9)-O(18) bond length is 1.99 Å. Both Fe(9)-O(12) bond lengths are 2.05 Å. Both Fe(9)-O(16) bond lengths are 2.08 Å. In the tenth Fe site, Fe(10) is bonded to one O(13), one O(20), two equivalent O(15), and two equivalent O(19) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 9-53°. The Fe(10)-O(13) bond length is 2.00 Å. The Fe(10)-O(20) bond length is 2.16 Å. Both Fe(10)-O(15) bond lengths are 2.07 Å. Both Fe(10)-O(19) bond lengths are 2.06 Å. In the eleventh Fe site, Fe(11) is bonded to one O(1), one O(15), two equivalent O(17), and two equivalent O(20) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 5°. The Fe(11)-O(1) bond length is 2.00 Å. The Fe(11)-O(15) bond length is 1.93 Å. Both Fe(11)-O(17) bond lengths are 1.99 Å. Both Fe(11)-O(20) bond lengths are 2.11 Å. In the twelfth Fe site, Fe(12) is bonded to one O(17), one O(2), two equivalent O(1), and two equivalent O(18) atoms to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 7-53°. The Fe(12)-O(17) bond length is 1.99 Å. The Fe(12)-O(2) bond length is 1.96 Å. Both Fe(12)-O(1) bond lengths are 2.40 Å. Both Fe(12)-O(18) bond lengths are 1.96 Å. There are twenty inequivalent O sites. In the first O site, O(1) is bonded to one Fe(11), one Fe(3), two equivalent Fe(12), and two equivalent Fe(2) atoms to form edge-sharing OFe6 octahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Rb(1), one Fe(12), and two equivalent Fe(3) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Rb(2), one Rb(4), one Fe(4), and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Rb(2), one Fe(1), and two equivalent Fe(2) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Rb(4), one Fe(5), and two equivalent Fe(4) atoms. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Rb(3), one Fe(2), and two equivalent Fe(3) atoms. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to two equivalent Rb(1), one Fe(6), and two equivalent Fe(5) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Rb(1), one Fe(3), and two equivalent Fe(6) atoms. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to two equivalent Rb(2), one Fe(7), and two equivalent Fe(4) atoms. In the tenth O site, O(10) is bonded to one Fe(4), one Fe(8), two equivalent Fe(5), and two equivalent Fe(7) atoms to form edge-sharing OFe6 octahedra. In the eleventh O site, O(11) is bonded to one Fe(5), one Fe(9), two equivalent Fe(6), and two equivalent Fe(8) atoms to form edge-sharing OFe6 octahedra. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to two equivalent Rb(3), one Fe(6), and two equivalent Fe(9) atoms. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Rb(2), one Rb(4), one Fe(10), and two equivalent Fe(7) atoms. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to two equivalent Rb(4), one Fe(7), and two equivalent Fe(8) atoms. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to two equivalent Rb(2), one Fe(11), and two equivalent Fe(10) atoms. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to two equivalent Rb(1), one Fe(8), and two equivalent Fe(9) atoms. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to two equivalent Rb(3), one Fe(12), and two equivalent Fe(11) atoms. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Rb(1), one Rb(3), one Fe(9), and two equivalent Fe(12) atoms. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to two equivalent Rb(4), one Fe(1), and two equivalent Fe(10) atoms. In the twentieth O site, O(20) is bonded to one Fe(10), one Fe(2), two equivalent Fe(1), and two equivalent Fe(11) atoms to form edge-sharing OFe6 octahedra.