Fe3Co(BiO3)4 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form FeO6 octahedra that share corners with three equivalent Fe(2)O6 octahedra and corners with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-17°. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(3), one O(6), one O(7), and one O(8) atom to form distorted corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 7-24°. In the third Fe site, Fe(3) is bonded to one O(10), one O(11), one O(12), one O(2), one O(7), and one O(9) atom to form distorted FeO6 octahedra that share corners with three equivalent Fe(2)O6 octahedra and corners with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-25°. Co(1) is bonded to one O(1), one O(12), one O(2), one O(4), one O(5), and one O(9) atom to form distorted CoO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra and corners with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-25°. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(4), one O(7), and one O(9) atom. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the third Bi site, Bi(3) is bonded in a 4-coordinate geometry to one O(10), one O(5), one O(6), and one O(8) atom. In the fourth Bi site, Bi(4) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(12), one O(7), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Fe(1), one Co(1), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Fe(3), one Co(1), one Bi(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Fe(1), one Co(1), one Bi(1), and one Bi(2) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Fe(1), one Co(1), one Bi(2), and one Bi(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), one Bi(2), and one Bi(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Fe(2), one Fe(3), one Bi(1), and one Bi(4) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Bi(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Fe(3), one Co(1), one Bi(1), and one Bi(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Fe(2), one Fe(3), one Bi(3), and one Bi(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Fe(2), one Fe(3), one Bi(1), and one Bi(4) atom. In the twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to one Fe(3), one Co(1), one Bi(1), and one Bi(4) atom.
Fe3Co(BiO3)4 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form FeO6 octahedra that share corners with three equivalent Fe(2)O6 octahedra and corners with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-17°. The Fe(1)-O(1) bond length is 2.15 Å. The Fe(1)-O(3) bond length is 2.15 Å. The Fe(1)-O(4) bond length is 1.98 Å. The Fe(1)-O(5) bond length is 2.08 Å. The Fe(1)-O(6) bond length is 1.96 Å. The Fe(1)-O(8) bond length is 1.96 Å. In the second Fe site, Fe(2) is bonded to one O(10), one O(11), one O(3), one O(6), one O(7), and one O(8) atom to form distorted corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 7-24°. The Fe(2)-O(10) bond length is 2.23 Å. The Fe(2)-O(11) bond length is 2.00 Å. The Fe(2)-O(3) bond length is 1.93 Å. The Fe(2)-O(6) bond length is 2.06 Å. The Fe(2)-O(7) bond length is 1.96 Å. The Fe(2)-O(8) bond length is 2.17 Å. In the third Fe site, Fe(3) is bonded to one O(10), one O(11), one O(12), one O(2), one O(7), and one O(9) atom to form distorted FeO6 octahedra that share corners with three equivalent Fe(2)O6 octahedra and corners with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-25°. The Fe(3)-O(10) bond length is 1.94 Å. The Fe(3)-O(11) bond length is 2.04 Å. The Fe(3)-O(12) bond length is 1.99 Å. The Fe(3)-O(2) bond length is 1.94 Å. The Fe(3)-O(7) bond length is 2.09 Å. The Fe(3)-O(9) bond length is 2.38 Å. Co(1) is bonded to one O(1), one O(12), one O(2), one O(4), one O(5), and one O(9) atom to form distorted CoO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra and corners with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-25°. The Co(1)-O(1) bond length is 2.07 Å. The Co(1)-O(12) bond length is 1.93 Å. The Co(1)-O(2) bond length is 2.42 Å. The Co(1)-O(4) bond length is 1.98 Å. The Co(1)-O(5) bond length is 1.92 Å. The Co(1)-O(9) bond length is 1.87 Å. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(4), one O(7), and one O(9) atom. The Bi(1)-O(1) bond length is 2.85 Å. The Bi(1)-O(11) bond length is 2.66 Å. The Bi(1)-O(12) bond length is 2.26 Å. The Bi(1)-O(2) bond length is 2.28 Å. The Bi(1)-O(4) bond length is 2.32 Å. The Bi(1)-O(7) bond length is 2.63 Å. The Bi(1)-O(9) bond length is 2.72 Å. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Bi(2)-O(1) bond length is 2.25 Å. The Bi(2)-O(2) bond length is 2.46 Å. The Bi(2)-O(3) bond length is 2.38 Å. The Bi(2)-O(4) bond length is 2.67 Å. The Bi(2)-O(5) bond length is 2.25 Å. The Bi(2)-O(6) bond length is 2.80 Å. In the third Bi site, Bi(3) is bonded in a 4-coordinate geometry to one O(10), one O(5), one O(6), and one O(8) atom. The Bi(3)-O(10) bond length is 2.31 Å. The Bi(3)-O(5) bond length is 2.53 Å. The Bi(3)-O(6) bond length is 2.22 Å. The Bi(3)-O(8) bond length is 2.23 Å. In the fourth Bi site, Bi(4) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(12), one O(7), and one O(9) atom. The Bi(4)-O(10) bond length is 2.60 Å. The Bi(4)-O(11) bond length is 2.22 Å. The Bi(4)-O(12) bond length is 2.52 Å. The Bi(4)-O(7) bond length is 2.33 Å. The Bi(4)-O(9) bond length is 2.24 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Fe(1), one Co(1), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Fe(3), one Co(1), one Bi(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Fe(1), one Co(1), one Bi(1), and one Bi(2) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Fe(1), one Co(1), one Bi(2), and one Bi(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), one Bi(2), and one Bi(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Fe(2), one Fe(3), one Bi(1), and one Bi(4) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Bi(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Fe(3), one Co(1), one Bi(1), and one Bi(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Fe(2), one Fe(3), one Bi(3), and one Bi(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Fe(2), one Fe(3), one Bi(1), and one Bi(4) atom. In the twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to one Fe(3), one Co(1), one Bi(1), and one Bi(4) atom.