FeMoO4 is Pb(Zr_(1-x)Ti_x)O3-like structured and crystallizes in the monoclinic C2 space group. There are three inequivalent Mo sites. In the first Mo site, Mo(1) 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 second Mo site, Mo(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(7) atoms. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(8) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form edge-sharing FeO6 octahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form edge-sharing FeO6 octahedra. In the third Fe site, Fe(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form edge-sharing FeO6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mo(1), one Mo(2), one Mo(3), and one Fe(2) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mo(1), one Fe(1), one Fe(2), and one Fe(3) atom. In the third O site, O(3) is bonded to one Mo(1), one Mo(3), one Fe(1), and one Fe(2) atom to form a mixture of distorted edge and corner-sharing OFe2Mo2 tetrahedra. In the fourth O site, O(4) is bonded to one Mo(1), one Mo(2), one Fe(2), and one Fe(3) atom to form a mixture of distorted edge and corner-sharing OFe2Mo2 tetrahedra. In the fifth O site, O(5) is bonded in a linear geometry to one Mo(1) and one Fe(3) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Mo(1) and one Fe(1) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Mo(2) and one Fe(2) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Mo(3) and one Fe(2) atom.
FeMoO4 is Pb(Zr_(1-x)Ti_x)O3-like structured and crystallizes in the monoclinic C2 space group. There are three inequivalent Mo sites. In the first Mo site, Mo(1) 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 Mo(1)-O(1) bond length is 1.97 Å. The Mo(1)-O(2) bond length is 1.93 Å. The Mo(1)-O(3) bond length is 2.31 Å. The Mo(1)-O(4) bond length is 2.31 Å. The Mo(1)-O(5) bond length is 1.77 Å. The Mo(1)-O(6) bond length is 1.76 Å. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(7) atoms. Both Mo(2)-O(1) bond lengths are 2.39 Å. Both Mo(2)-O(4) bond lengths are 1.93 Å. Both Mo(2)-O(7) bond lengths are 1.76 Å. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(8) atoms. Both Mo(3)-O(1) bond lengths are 2.39 Å. Both Mo(3)-O(3) bond lengths are 1.93 Å. Both Mo(3)-O(8) bond lengths are 1.76 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form edge-sharing FeO6 octahedra. Both Fe(1)-O(2) bond lengths are 2.26 Å. Both Fe(1)-O(3) bond lengths are 2.12 Å. Both Fe(1)-O(6) bond lengths are 2.07 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form edge-sharing FeO6 octahedra. The Fe(2)-O(1) bond length is 2.08 Å. The Fe(2)-O(2) bond length is 2.08 Å. The Fe(2)-O(3) bond length is 2.30 Å. The Fe(2)-O(4) bond length is 2.30 Å. The Fe(2)-O(7) bond length is 2.08 Å. The Fe(2)-O(8) bond length is 2.08 Å. In the third Fe site, Fe(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form edge-sharing FeO6 octahedra. Both Fe(3)-O(2) bond lengths are 2.26 Å. Both Fe(3)-O(4) bond lengths are 2.12 Å. Both Fe(3)-O(5) bond lengths are 2.06 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mo(1), one Mo(2), one Mo(3), and one Fe(2) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mo(1), one Fe(1), one Fe(2), and one Fe(3) atom. In the third O site, O(3) is bonded to one Mo(1), one Mo(3), one Fe(1), and one Fe(2) atom to form a mixture of distorted edge and corner-sharing OFe2Mo2 tetrahedra. In the fourth O site, O(4) is bonded to one Mo(1), one Mo(2), one Fe(2), and one Fe(3) atom to form a mixture of distorted edge and corner-sharing OFe2Mo2 tetrahedra. In the fifth O site, O(5) is bonded in a linear geometry to one Mo(1) and one Fe(3) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Mo(1) and one Fe(1) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Mo(2) and one Fe(2) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Mo(3) and one Fe(2) atom.