RbFe3O5 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to one O(3), one O(8), two equivalent O(10), two equivalent O(2), and two equivalent O(4) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one O(3), one O(8), two equivalent O(5), two equivalent O(7), and two equivalent O(9) atoms. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), one O(7), two equivalent O(3), and two equivalent O(6) atoms to form a mixture of distorted corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 6-53°. In the second Fe site, Fe(2) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the third Fe site, Fe(3) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 6-53°. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(9), two equivalent O(1), and two equivalent O(8) atoms to form a mixture of distorted corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 8-53°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(10), two equivalent O(6), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the sixth Fe site, Fe(6) is bonded to one O(6), one O(8), two equivalent O(10), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 6-53°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Fe(3), one Fe(5), two equivalent Fe(2), and two equivalent Fe(4) 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(4), and two equivalent Fe(3) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Rb(1), one Rb(2), one Fe(3), and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Rb(1), 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(2), one Fe(2), and two equivalent Fe(3) atoms. In the sixth O site, O(6) is bonded to one Fe(2), one Fe(6), two equivalent Fe(1), and two equivalent Fe(5) atoms to form edge-sharing OFe6 octahedra. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to two equivalent Rb(2), one Fe(1), and two equivalent Fe(6) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Rb(1), one Rb(2), one Fe(6), and two equivalent Fe(4) atoms. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to two equivalent Rb(2), one Fe(4), and two equivalent Fe(5) atoms. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to two equivalent Rb(1), one Fe(5), and two equivalent Fe(6) atoms.
RbFe3O5 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to one O(3), one O(8), two equivalent O(10), two equivalent O(2), and two equivalent O(4) atoms. The Rb(1)-O(3) bond length is 3.06 Å. The Rb(1)-O(8) bond length is 3.23 Å. Both Rb(1)-O(10) bond lengths are 2.97 Å. Both Rb(1)-O(2) bond lengths are 2.83 Å. Both Rb(1)-O(4) bond lengths are 3.03 Å. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one O(3), one O(8), two equivalent O(5), two equivalent O(7), and two equivalent O(9) atoms. The Rb(2)-O(3) bond length is 3.28 Å. The Rb(2)-O(8) bond length is 3.07 Å. Both Rb(2)-O(5) bond lengths are 2.95 Å. Both Rb(2)-O(7) bond lengths are 2.83 Å. Both Rb(2)-O(9) bond lengths are 2.99 Å. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), one O(7), two equivalent O(3), and two equivalent O(6) atoms to form a mixture of distorted corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 6-53°. The Fe(1)-O(4) bond length is 2.01 Å. The Fe(1)-O(7) bond length is 1.94 Å. Both Fe(1)-O(3) bond lengths are 1.95 Å. Both Fe(1)-O(6) bond lengths are 2.42 Å. In the second Fe site, Fe(2) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. The Fe(2)-O(5) bond length is 1.97 Å. The Fe(2)-O(6) bond length is 2.08 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(3), two equivalent O(2), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 6-53°. The Fe(3)-O(1) bond length is 2.23 Å. The Fe(3)-O(3) bond length is 1.99 Å. Both Fe(3)-O(2) bond lengths are 2.04 Å. Both Fe(3)-O(5) bond lengths are 2.09 Å. In the fourth Fe site, Fe(4) is bonded to one O(2), one O(9), two equivalent O(1), and two equivalent O(8) atoms to form a mixture of distorted corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 8-53°. The Fe(4)-O(2) bond length is 1.92 Å. The Fe(4)-O(9) bond length is 2.02 Å. Both Fe(4)-O(1) bond lengths are 2.41 Å. Both Fe(4)-O(8) bond lengths are 1.96 Å. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(10), two equivalent O(6), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 6°. The Fe(5)-O(1) bond length is 2.05 Å. The Fe(5)-O(10) bond length is 1.89 Å. Both Fe(5)-O(6) bond lengths are 2.21 Å. Both Fe(5)-O(9) bond lengths are 2.01 Å. In the sixth Fe site, Fe(6) is bonded to one O(6), one O(8), two equivalent O(10), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 6-53°. The Fe(6)-O(6) bond length is 2.19 Å. The Fe(6)-O(8) bond length is 1.96 Å. Both Fe(6)-O(10) bond lengths are 2.10 Å. Both Fe(6)-O(7) bond lengths are 2.05 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Fe(3), one Fe(5), two equivalent Fe(2), and two equivalent Fe(4) 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(4), and two equivalent Fe(3) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Rb(1), one Rb(2), one Fe(3), and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Rb(1), 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(2), one Fe(2), and two equivalent Fe(3) atoms. In the sixth O site, O(6) is bonded to one Fe(2), one Fe(6), two equivalent Fe(1), and two equivalent Fe(5) atoms to form edge-sharing OFe6 octahedra. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to two equivalent Rb(2), one Fe(1), and two equivalent Fe(6) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Rb(1), one Rb(2), one Fe(6), and two equivalent Fe(4) atoms. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to two equivalent Rb(2), one Fe(4), and two equivalent Fe(5) atoms. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to two equivalent Rb(1), one Fe(5), and two equivalent Fe(6) atoms.