Bi3FeMo2O12 crystallizes in the monoclinic C2/c space group. Mo(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(4), and one O(6) atom. Fe(1) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(5) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to one O(2), one O(5), two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(6) is bonded in a distorted single-bond geometry to one Mo(1) and two equivalent Bi(1) atoms. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Mo(1) and two equivalent Bi(1) atoms. In the third O site, O(2) is bonded in a 3-coordinate geometry to one Mo(1), one Bi(1), and one Bi(2) atom. In the fourth O site, O(3) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Bi(1) atoms. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to one Mo(1) and one Bi(2) atom. In the sixth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Bi(1), and one Bi(2) atom.
Bi3FeMo2O12 crystallizes in the monoclinic C2/c space group. Mo(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(4), and one O(6) atom. The Mo(1)-O(1) bond length is 1.79 Å. The Mo(1)-O(2) bond length is 1.85 Å. The Mo(1)-O(4) bond length is 1.79 Å. The Mo(1)-O(6) bond length is 1.81 Å. Fe(1) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(5) atoms. Both Fe(1)-O(3) bond lengths are 1.93 Å. Both Fe(1)-O(5) bond lengths are 1.94 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to one O(2), one O(5), two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms. The Bi(1)-O(2) bond length is 2.57 Å. The Bi(1)-O(5) bond length is 2.30 Å. There is one shorter (2.72 Å) and one longer (2.86 Å) Bi(1)-O(1) bond length. There is one shorter (2.26 Å) and one longer (2.27 Å) Bi(1)-O(3) bond length. There is one shorter (2.59 Å) and one longer (2.63 Å) Bi(1)-O(6) bond length. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. Both Bi(2)-O(2) bond lengths are 2.37 Å. Both Bi(2)-O(4) bond lengths are 2.74 Å. Both Bi(2)-O(5) bond lengths are 2.23 Å. There are six inequivalent O sites. In the first O site, O(6) is bonded in a distorted single-bond geometry to one Mo(1) and two equivalent Bi(1) atoms. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Mo(1) and two equivalent Bi(1) atoms. In the third O site, O(2) is bonded in a 3-coordinate geometry to one Mo(1), one Bi(1), and one Bi(2) atom. In the fourth O site, O(3) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Bi(1) atoms. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to one Mo(1) and one Bi(2) atom. In the sixth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Bi(1), and one Bi(2) atom.