LaMnFe3(BiO4)3 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the monoclinic Cm space group. La(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms. Mn(1) is bonded to one O(2), one O(4), two equivalent O(6), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra and corners with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-31°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), two equivalent O(6), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-31°. In the second Fe site, Fe(2) is bonded to one O(1), one O(4), two equivalent O(5), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-31°. In the third Fe site, Fe(3) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 26-29°. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(5), and two equivalent O(8) atoms. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(6), and two equivalent O(7) atoms. In the third Bi site, Bi(3) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(6), and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(3), and one Bi(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1), one Mn(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(3), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent La(1), one Mn(1), one Fe(2), and one Bi(2) atom. In the fifth O site, O(5) is bonded to one La(1), one Fe(2), one Fe(3), and one Bi(1) atom to form distorted OLaFe2Bi trigonal pyramids that share corners with two equivalent O(7)Fe2Bi2 trigonal pyramids and edges with two equivalent O(5)LaFe2Bi trigonal pyramids. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mn(1), one Fe(1), one Bi(2), and one Bi(3) atom. In the seventh O site, O(7) is bonded to one Fe(1), one Fe(3), one Bi(2), and one Bi(3) atom to form distorted OFe2Bi2 trigonal pyramids that share corners with two equivalent O(5)LaFe2Bi trigonal pyramids and edges with two equivalent O(7)Fe2Bi2 trigonal pyramids. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one La(1), one Mn(1), one Fe(2), and one Bi(1) atom.
LaMnFe3(BiO4)3 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the monoclinic Cm space group. La(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms. The La(1)-O(2) bond length is 2.26 Å. Both La(1)-O(4) bond lengths are 2.84 Å. Both La(1)-O(5) bond lengths are 2.52 Å. Both La(1)-O(8) bond lengths are 2.54 Å. Mn(1) is bonded to one O(2), one O(4), two equivalent O(6), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra and corners with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-31°. The Mn(1)-O(2) bond length is 2.21 Å. The Mn(1)-O(4) bond length is 2.23 Å. Both Mn(1)-O(6) bond lengths are 1.98 Å. Both Mn(1)-O(8) bond lengths are 1.98 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), two equivalent O(6), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-31°. The Fe(1)-O(2) bond length is 2.01 Å. The Fe(1)-O(3) bond length is 2.04 Å. Both Fe(1)-O(6) bond lengths are 2.06 Å. Both Fe(1)-O(7) bond lengths are 2.03 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(4), two equivalent O(5), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra and corners with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-31°. The Fe(2)-O(1) bond length is 2.06 Å. The Fe(2)-O(4) bond length is 2.02 Å. Both Fe(2)-O(5) bond lengths are 2.04 Å. Both Fe(2)-O(8) bond lengths are 2.05 Å. In the third Fe site, Fe(3) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 26-29°. The Fe(3)-O(1) bond length is 2.10 Å. The Fe(3)-O(3) bond length is 2.12 Å. Both Fe(3)-O(5) bond lengths are 2.01 Å. Both Fe(3)-O(7) bond lengths are 2.03 Å. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(5), and two equivalent O(8) atoms. The Bi(1)-O(3) bond length is 2.46 Å. Both Bi(1)-O(5) bond lengths are 2.38 Å. Both Bi(1)-O(8) bond lengths are 2.41 Å. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(6), and two equivalent O(7) atoms. The Bi(2)-O(4) bond length is 2.37 Å. Both Bi(2)-O(6) bond lengths are 2.41 Å. Both Bi(2)-O(7) bond lengths are 2.41 Å. In the third Bi site, Bi(3) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(6), and two equivalent O(7) atoms. The Bi(3)-O(1) bond length is 2.42 Å. Both Bi(3)-O(6) bond lengths are 2.48 Å. Both Bi(3)-O(7) bond lengths are 2.40 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(3), and one Bi(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1), one Mn(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(3), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent La(1), one Mn(1), one Fe(2), and one Bi(2) atom. In the fifth O site, O(5) is bonded to one La(1), one Fe(2), one Fe(3), and one Bi(1) atom to form distorted OLaFe2Bi trigonal pyramids that share corners with two equivalent O(7)Fe2Bi2 trigonal pyramids and edges with two equivalent O(5)LaFe2Bi trigonal pyramids. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mn(1), one Fe(1), one Bi(2), and one Bi(3) atom. In the seventh O site, O(7) is bonded to one Fe(1), one Fe(3), one Bi(2), and one Bi(3) atom to form distorted OFe2Bi2 trigonal pyramids that share corners with two equivalent O(5)LaFe2Bi trigonal pyramids and edges with two equivalent O(7)Fe2Bi2 trigonal pyramids. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one La(1), one Mn(1), one Fe(2), and one Bi(1) atom.