CaMnFeBiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. Ca(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-28°. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-28°. Bi(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Mn(1), one Fe(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ca(1), one Mn(1), one Fe(1), and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(1), one Mn(1), one Fe(1), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Mn(1), one Fe(1), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Ca(1), one Mn(1), one Fe(1), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(1), one Mn(1), one Fe(1), and one Bi(1) atom.
CaMnFeBiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. Ca(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. The Ca(1)-O(2) bond length is 2.39 Å. The Ca(1)-O(3) bond length is 2.39 Å. The Ca(1)-O(5) bond length is 2.44 Å. The Ca(1)-O(6) bond length is 2.36 Å. There is one shorter (2.62 Å) and one longer (2.69 Å) Ca(1)-O(1) bond length. There is one shorter (2.62 Å) and one longer (2.68 Å) Ca(1)-O(4) bond length. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-28°. The Mn(1)-O(1) bond length is 1.95 Å. The Mn(1)-O(2) bond length is 1.96 Å. The Mn(1)-O(3) bond length is 1.96 Å. The Mn(1)-O(4) bond length is 1.95 Å. The Mn(1)-O(5) bond length is 1.95 Å. The Mn(1)-O(6) bond length is 1.94 Å. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-28°. The Fe(1)-O(1) bond length is 2.02 Å. The Fe(1)-O(2) bond length is 2.04 Å. The Fe(1)-O(3) bond length is 2.04 Å. The Fe(1)-O(4) bond length is 2.02 Å. The Fe(1)-O(5) bond length is 2.03 Å. The Fe(1)-O(6) bond length is 2.01 Å. Bi(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. The Bi(1)-O(1) bond length is 2.40 Å. The Bi(1)-O(4) bond length is 2.40 Å. The Bi(1)-O(5) bond length is 2.35 Å. The Bi(1)-O(6) bond length is 2.43 Å. There is one shorter (2.63 Å) and one longer (2.67 Å) Bi(1)-O(2) bond length. There is one shorter (2.62 Å) and one longer (2.68 Å) Bi(1)-O(3) bond length. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Mn(1), one Fe(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ca(1), one Mn(1), one Fe(1), and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(1), one Mn(1), one Fe(1), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Mn(1), one Fe(1), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Ca(1), one Mn(1), one Fe(1), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(1), one Mn(1), one Fe(1), and one Bi(1) atom.