The compound described by MnMoO4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(2) and two equivalent O(5) atoms to form MoO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-57°. In the second Mo site, Mo(2) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form MoO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-61°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with four equivalent Mo(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mo(2)O4 tetrahedra, corners with four equivalent Mo(1)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Mo(2) and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mo(1), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded to one Mo(2), one Mn(2), and two equivalent Mn(1) atoms to form distorted edge-sharing OMn3Mo tetrahedra. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(2) and one Mn(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mn(2) atom. is represented by the CIF file [CIF]
data_MnMoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.050
_cell_length_b   7.050
_cell_length_c   7.144
_cell_angle_alpha   77.492
_cell_angle_beta   77.492
_cell_angle_gamma   84.188
_symmetry_Int_Tables_number   1
_cell_volume   337.926
_cell_formula_units_Z   4
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
  Mn  Mn0  1  0.184  0.816  0.500  1.0
  Mn  Mn1  1  0.816  0.184  0.500  1.0
  Mn  Mn2  1  0.794  0.794  0.863  1.0
  Mn  Mn3  1  0.206  0.206  0.137  1.0
  Mo  Mo4  1  0.249  0.751  0.000  1.0
  Mo  Mo5  1  0.751  0.249  0.000  1.0
  Mo  Mo6  1  0.269  0.269  0.594  1.0
  Mo  Mo7  1  0.731  0.731  0.406  1.0
  O  O8  1  0.211  0.517  0.529  1.0
  O  O9  1  0.483  0.789  0.471  1.0
  O  O10  1  0.789  0.483  0.471  1.0
  O  O11  1  0.517  0.211  0.529  1.0
  O  O12  1  0.111  0.805  0.807  1.0
  O  O13  1  0.195  0.889  0.193  1.0
  O  O14  1  0.889  0.194  0.193  1.0
  O  O15  1  0.805  0.111  0.807  1.0
  O  O16  1  0.858  0.858  0.538  1.0
  O  O17  1  0.142  0.142  0.462  1.0
  O  O18  1  0.198  0.198  0.850  1.0
  O  O19  1  0.802  0.802  0.150  1.0
  O  O20  1  0.785  0.493  0.892  1.0
  O  O21  1  0.215  0.507  0.108  1.0
  O  O22  1  0.507  0.215  0.108  1.0
  O  O23  1  0.493  0.785  0.892  1.0
[/CIF]
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The compound described by MnMoO4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(2) and two equivalent O(5) atoms to form MoO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-57°. In the second Mo site, Mo(2) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form MoO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-61°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with four equivalent Mo(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mo(2)O4 tetrahedra, corners with four equivalent Mo(1)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Mo(2) and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mo(1), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded to one Mo(2), one Mn(2), and two equivalent Mn(1) atoms to form distorted edge-sharing OMn3Mo tetrahedra. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(2) and one Mn(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mn(2) atom. is represented by the CIF file [CIF]
data_MnMoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.050
_cell_length_b   7.050
_cell_length_c   7.144
_cell_angle_alpha   77.492
_cell_angle_beta   77.492
_cell_angle_gamma   84.188
_symmetry_Int_Tables_number   1
_cell_volume   337.926
_cell_formula_units_Z   4
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
  Mn  Mn0  1  0.184  0.816  0.500  1.0
  Mn  Mn1  1  0.816  0.184  0.500  1.0
  Mn  Mn2  1  0.794  0.794  0.863  1.0
  Mn  Mn3  1  0.206  0.206  0.137  1.0
  Mo  Mo4  1  0.249  0.751  0.000  1.0
  Mo  Mo5  1  0.751  0.249  0.000  1.0
  Mo  Mo6  1  0.269  0.269  0.594  1.0
  Mo  Mo7  1  0.731  0.731  0.406  1.0
  O  O8  1  0.211  0.517  0.529  1.0
  O  O9  1  0.483  0.789  0.471  1.0
  O  O10  1  0.789  0.483  0.471  1.0
  O  O11  1  0.517  0.211  0.529  1.0
  O  O12  1  0.111  0.805  0.807  1.0
  O  O13  1  0.195  0.889  0.193  1.0
  O  O14  1  0.889  0.194  0.193  1.0
  O  O15  1  0.805  0.111  0.807  1.0
  O  O16  1  0.858  0.858  0.538  1.0
  O  O17  1  0.142  0.142  0.462  1.0
  O  O18  1  0.198  0.198  0.850  1.0
  O  O19  1  0.802  0.802  0.150  1.0
  O  O20  1  0.785  0.493  0.892  1.0
  O  O21  1  0.215  0.507  0.108  1.0
  O  O22  1  0.507  0.215  0.108  1.0
  O  O23  1  0.493  0.785  0.892  1.0
[/CIF]
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