BaFe5Bi4O15 crystallizes in the monoclinic Cc space group. Ba(1) is bonded in a 12-coordinate geometry to one O(10), one O(11), one O(12), one O(14), one O(15), one O(4), one O(5), one O(6), one O(7), one O(9), and two equivalent O(2) atoms. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(13), one O(15), one O(5), and one O(8) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 22-27°. In the second Fe site, Fe(2) is bonded to one O(12), one O(14), one O(4), one O(5), one O(7), and one O(9) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 14-26°. In the third Fe site, Fe(3) is bonded to one O(11), one O(13), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 22-29°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(12), one O(15), one O(2), one O(3), and one O(7) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 18-29°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(11), one O(14), one O(2), one O(6), and one O(9) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 14-25°. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(1), one O(13), one O(14), one O(4), one O(6), and one O(9) atom. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(13), one O(3), one O(5), and one O(8) atom. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(2), one O(4), one O(7), and one O(9) atom. In the fourth Bi site, Bi(4) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(15), one O(3), one O(6), and one O(8) atom. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Fe(1), one Fe(5), one Bi(1), and one Bi(4) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Fe(4), one Fe(5), and one Bi(3) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Fe(3), one Fe(4), one Bi(2), and one Bi(4) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(1), one Fe(2), one Fe(3), one Bi(1), and one Bi(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one Fe(1), one Fe(2), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ba(1), one Fe(3), one Fe(5), one Bi(1), and one Bi(4) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Fe(2), one Fe(4), and one Bi(3) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Fe(1), one Fe(3), one Bi(2), and one Bi(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ba(1), one Fe(2), one Fe(5), one Bi(1), and one Bi(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ba(1), one Fe(1), one Fe(4), and one Bi(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Ba(1), one Fe(3), one Fe(5), one Bi(3), and one Bi(4) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Ba(1), one Fe(2), one Fe(4), one Bi(2), and one Bi(3) atom. In the thirteenth O site, O(13) is bonded in a distorted see-saw-like geometry to one Fe(1), one Fe(3), one Bi(1), and one Bi(2) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Fe(2), one Fe(5), and one Bi(1) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Ba(1), one Fe(1), one Fe(4), and one Bi(4) atom.
BaFe5Bi4O15 crystallizes in the monoclinic Cc space group. Ba(1) is bonded in a 12-coordinate geometry to one O(10), one O(11), one O(12), one O(14), one O(15), one O(4), one O(5), one O(6), one O(7), one O(9), and two equivalent O(2) atoms. The Ba(1)-O(10) bond length is 2.84 Å. The Ba(1)-O(11) bond length is 3.07 Å. The Ba(1)-O(12) bond length is 3.08 Å. The Ba(1)-O(14) bond length is 2.67 Å. The Ba(1)-O(15) bond length is 2.83 Å. The Ba(1)-O(4) bond length is 3.03 Å. The Ba(1)-O(5) bond length is 2.78 Å. The Ba(1)-O(6) bond length is 3.13 Å. The Ba(1)-O(7) bond length is 2.65 Å. The Ba(1)-O(9) bond length is 3.21 Å. There is one shorter (2.67 Å) and one longer (3.00 Å) Ba(1)-O(2) bond length. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(13), one O(15), one O(5), and one O(8) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 22-27°. The Fe(1)-O(1) bond length is 2.02 Å. The Fe(1)-O(10) bond length is 2.05 Å. The Fe(1)-O(13) bond length is 2.06 Å. The Fe(1)-O(15) bond length is 2.08 Å. The Fe(1)-O(5) bond length is 2.03 Å. The Fe(1)-O(8) bond length is 2.04 Å. In the second Fe site, Fe(2) is bonded to one O(12), one O(14), one O(4), one O(5), one O(7), and one O(9) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 14-26°. The Fe(2)-O(12) bond length is 1.99 Å. The Fe(2)-O(14) bond length is 2.07 Å. The Fe(2)-O(4) bond length is 2.22 Å. The Fe(2)-O(5) bond length is 1.96 Å. The Fe(2)-O(7) bond length is 1.97 Å. The Fe(2)-O(9) bond length is 2.09 Å. In the third Fe site, Fe(3) is bonded to one O(11), one O(13), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 22-29°. The Fe(3)-O(11) bond length is 1.99 Å. The Fe(3)-O(13) bond length is 2.12 Å. The Fe(3)-O(3) bond length is 2.07 Å. The Fe(3)-O(4) bond length is 1.98 Å. The Fe(3)-O(6) bond length is 2.01 Å. The Fe(3)-O(8) bond length is 2.11 Å. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(12), one O(15), one O(2), one O(3), and one O(7) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 18-29°. The Fe(4)-O(10) bond length is 1.95 Å. The Fe(4)-O(12) bond length is 2.15 Å. The Fe(4)-O(15) bond length is 1.96 Å. The Fe(4)-O(2) bond length is 2.13 Å. The Fe(4)-O(3) bond length is 2.00 Å. The Fe(4)-O(7) bond length is 2.17 Å. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(11), one O(14), one O(2), one O(6), and one O(9) atom to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 14-25°. The Fe(5)-O(1) bond length is 2.08 Å. The Fe(5)-O(11) bond length is 2.12 Å. The Fe(5)-O(14) bond length is 1.97 Å. The Fe(5)-O(2) bond length is 2.00 Å. The Fe(5)-O(6) bond length is 2.12 Å. The Fe(5)-O(9) bond length is 2.00 Å. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(1), one O(13), one O(14), one O(4), one O(6), and one O(9) atom. The Bi(1)-O(1) bond length is 2.48 Å. The Bi(1)-O(13) bond length is 2.40 Å. The Bi(1)-O(14) bond length is 2.41 Å. The Bi(1)-O(4) bond length is 2.37 Å. The Bi(1)-O(6) bond length is 2.57 Å. The Bi(1)-O(9) bond length is 2.36 Å. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(13), one O(3), one O(5), and one O(8) atom. The Bi(2)-O(10) bond length is 2.50 Å. The Bi(2)-O(12) bond length is 2.65 Å. The Bi(2)-O(13) bond length is 2.31 Å. The Bi(2)-O(3) bond length is 2.31 Å. The Bi(2)-O(5) bond length is 2.39 Å. The Bi(2)-O(8) bond length is 2.41 Å. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(2), one O(4), one O(7), and one O(9) atom. The Bi(3)-O(11) bond length is 2.60 Å. The Bi(3)-O(12) bond length is 2.32 Å. The Bi(3)-O(2) bond length is 2.34 Å. The Bi(3)-O(4) bond length is 2.52 Å. The Bi(3)-O(7) bond length is 2.28 Å. The Bi(3)-O(9) bond length is 2.54 Å. In the fourth Bi site, Bi(4) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(15), one O(3), one O(6), and one O(8) atom. The Bi(4)-O(1) bond length is 2.39 Å. The Bi(4)-O(11) bond length is 2.40 Å. The Bi(4)-O(15) bond length is 2.37 Å. The Bi(4)-O(3) bond length is 2.55 Å. The Bi(4)-O(6) bond length is 2.34 Å. The Bi(4)-O(8) bond length is 2.45 Å. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Fe(1), one Fe(5), one Bi(1), and one Bi(4) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Fe(4), one Fe(5), and one Bi(3) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Fe(3), one Fe(4), one Bi(2), and one Bi(4) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(1), one Fe(2), one Fe(3), one Bi(1), and one Bi(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one Fe(1), one Fe(2), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ba(1), one Fe(3), one Fe(5), one Bi(1), and one Bi(4) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Fe(2), one Fe(4), and one Bi(3) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Fe(1), one Fe(3), one Bi(2), and one Bi(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ba(1), one Fe(2), one Fe(5), one Bi(1), and one Bi(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ba(1), one Fe(1), one Fe(4), and one Bi(2) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Ba(1), one Fe(3), one Fe(5), one Bi(3), and one Bi(4) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Ba(1), one Fe(2), one Fe(4), one Bi(2), and one Bi(3) atom. In the thirteenth O site, O(13) is bonded in a distorted see-saw-like geometry to one Fe(1), one Fe(3), one Bi(1), and one Bi(2) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Fe(2), one Fe(5), and one Bi(1) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Ba(1), one Fe(1), one Fe(4), and one Bi(4) atom.