The material described by Fe2(MoO4)3 crystallizes in the triclinic P-1 space group. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(12), one O(6), and one O(9) atom to form MoO4 tetrahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-60°. In the second Mo site, Mo(2) is bonded to one O(10), one O(3), one O(4), and one O(7) atom to form MoO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-55°. In the third Mo site, Mo(3) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form MoO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-38°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(2), one O(6), one O(7), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Mo(3)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, corners with three equivalent Mo(1)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(3), one O(4), one O(5), one O(8), and two equivalent O(1) atoms to form FeO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, corners with two equivalent Mo(3)O4 tetrahedra, and  an edgeedge with one Fe(2)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(12) is bonded in a single-bond geometry to one Mo(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Mo(1) and two equivalent Fe(2) atoms. In the third O site, O(2) is bonded in a linear geometry to one Mo(3) and one Fe(1) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(2) and one Fe(2) atom. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(2) and one Fe(2) atom. In the sixth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(3) and one Fe(2) atom. In the seventh O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(1) and one Fe(1) atom. In the eighth O site, O(7) is bonded in a bent 120 degrees geometry to one Mo(2) and one Fe(1) atom. In the ninth O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(3) and one Fe(2) atom. In the tenth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mo(1) and two equivalent Fe(1) atoms. In the eleventh O site, O(10) is bonded in a bent 120 degrees geometry to one Mo(2) and one Fe(1) atom. In the twelfth O site, O(11) is bonded in a single-bond geometry to one Mo(3) atom. is represented by the CIF file [CIF]
data_Fe2(MoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.934
_cell_length_b   8.663
_cell_length_c   10.377
_cell_angle_alpha   108.495
_cell_angle_beta   103.480
_cell_angle_gamma   103.761
_symmetry_Int_Tables_number   1
_cell_volume   541.006
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe0  1  0.376  0.958  0.609  1.0
  Fe  Fe1  1  0.624  0.042  0.391  1.0
  Fe  Fe2  1  0.046  0.203  0.013  1.0
  Fe  Fe3  1  0.954  0.797  0.987  1.0
  Mo  Mo4  1  0.879  0.897  0.663  1.0
  Mo  Mo5  1  0.121  0.103  0.337  1.0
  Mo  Mo6  1  0.212  0.667  0.260  1.0
  Mo  Mo7  1  0.788  0.333  0.740  1.0
  Mo  Mo8  1  0.595  0.256  0.132  1.0
  Mo  Mo9  1  0.405  0.744  0.868  1.0
  O  O10  1  0.072  0.058  0.143  1.0
  O  O11  1  0.928  0.942  0.857  1.0
  O  O12  1  0.569  0.135  0.247  1.0
  O  O13  1  0.431  0.865  0.753  1.0
  O  O14  1  0.161  0.440  0.169  1.0
  O  O15  1  0.839  0.560  0.831  1.0
  O  O16  1  0.976  0.263  0.840  1.0
  O  O17  1  0.024  0.737  0.160  1.0
  O  O18  1  0.238  0.809  0.971  1.0
  O  O19  1  0.762  0.191  0.029  1.0
  O  O20  1  0.882  0.004  0.363  1.0
  O  O21  1  0.118  0.996  0.637  1.0
  O  O22  1  0.534  0.214  0.734  1.0
  O  O23  1  0.466  0.786  0.266  1.0
  O  O24  1  0.334  0.218  0.014  1.0
  O  O25  1  0.666  0.782  0.986  1.0
  O  O26  1  0.342  0.043  0.429  1.0
  O  O27  1  0.658  0.957  0.571  1.0
  O  O28  1  0.221  0.725  0.444  1.0
  O  O29  1  0.779  0.275  0.556  1.0
  O  O30  1  0.714  0.474  0.241  1.0
  O  O31  1  0.286  0.526  0.759  1.0
  O  O32  1  0.179  0.321  0.419  1.0
  O  O33  1  0.821  0.679  0.581  1.0
[/CIF]
.
The material described by Fe2(MoO4)3 crystallizes in the triclinic P-1 space group. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(12), one O(6), and one O(9) atom to form MoO4 tetrahedra that share corners with two equivalent Fe(2)O6 octahedra and corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-60°. In the second Mo site, Mo(2) is bonded to one O(10), one O(3), one O(4), and one O(7) atom to form MoO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-55°. In the third Mo site, Mo(3) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form MoO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-38°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(2), one O(6), one O(7), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Mo(3)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, corners with three equivalent Mo(1)O4 tetrahedra, and  an edgeedge with one Fe(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(3), one O(4), one O(5), one O(8), and two equivalent O(1) atoms to form FeO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, corners with two equivalent Mo(3)O4 tetrahedra, and  an edgeedge with one Fe(2)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(12) is bonded in a single-bond geometry to one Mo(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Mo(1) and two equivalent Fe(2) atoms. In the third O site, O(2) is bonded in a linear geometry to one Mo(3) and one Fe(1) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(2) and one Fe(2) atom. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(2) and one Fe(2) atom. In the sixth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(3) and one Fe(2) atom. In the seventh O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(1) and one Fe(1) atom. In the eighth O site, O(7) is bonded in a bent 120 degrees geometry to one Mo(2) and one Fe(1) atom. In the ninth O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(3) and one Fe(2) atom. In the tenth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mo(1) and two equivalent Fe(1) atoms. In the eleventh O site, O(10) is bonded in a bent 120 degrees geometry to one Mo(2) and one Fe(1) atom. In the twelfth O site, O(11) is bonded in a single-bond geometry to one Mo(3) atom. is represented by the CIF file [CIF]
data_Fe2(MoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.934
_cell_length_b   8.663
_cell_length_c   10.377
_cell_angle_alpha   108.495
_cell_angle_beta   103.480
_cell_angle_gamma   103.761
_symmetry_Int_Tables_number   1
_cell_volume   541.006
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe0  1  0.376  0.958  0.609  1.0
  Fe  Fe1  1  0.624  0.042  0.391  1.0
  Fe  Fe2  1  0.046  0.203  0.013  1.0
  Fe  Fe3  1  0.954  0.797  0.987  1.0
  Mo  Mo4  1  0.879  0.897  0.663  1.0
  Mo  Mo5  1  0.121  0.103  0.337  1.0
  Mo  Mo6  1  0.212  0.667  0.260  1.0
  Mo  Mo7  1  0.788  0.333  0.740  1.0
  Mo  Mo8  1  0.595  0.256  0.132  1.0
  Mo  Mo9  1  0.405  0.744  0.868  1.0
  O  O10  1  0.072  0.058  0.143  1.0
  O  O11  1  0.928  0.942  0.857  1.0
  O  O12  1  0.569  0.135  0.247  1.0
  O  O13  1  0.431  0.865  0.753  1.0
  O  O14  1  0.161  0.440  0.169  1.0
  O  O15  1  0.839  0.560  0.831  1.0
  O  O16  1  0.976  0.263  0.840  1.0
  O  O17  1  0.024  0.737  0.160  1.0
  O  O18  1  0.238  0.809  0.971  1.0
  O  O19  1  0.762  0.191  0.029  1.0
  O  O20  1  0.882  0.004  0.363  1.0
  O  O21  1  0.118  0.996  0.637  1.0
  O  O22  1  0.534  0.214  0.734  1.0
  O  O23  1  0.466  0.786  0.266  1.0
  O  O24  1  0.334  0.218  0.014  1.0
  O  O25  1  0.666  0.782  0.986  1.0
  O  O26  1  0.342  0.043  0.429  1.0
  O  O27  1  0.658  0.957  0.571  1.0
  O  O28  1  0.221  0.725  0.444  1.0
  O  O29  1  0.779  0.275  0.556  1.0
  O  O30  1  0.714  0.474  0.241  1.0
  O  O31  1  0.286  0.526  0.759  1.0
  O  O32  1  0.179  0.321  0.419  1.0
  O  O33  1  0.821  0.679  0.581  1.0
[/CIF]
.