The material structure described by MoMnO5 crystallizes in the triclinic P-1 space group. Mo(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MoO4 tetrahedra that share corners with five equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-57°. Mn(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form MnO6 octahedra that share corners with five equivalent Mo(1)O4 tetrahedra and  an edgeedge with one Mn(1)O6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mo(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mn(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mn(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mn(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Mn(1) atom. is represented by the CIF file [CIF]
data_MnMoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.552
_cell_length_b   5.823
_cell_length_c   7.131
_cell_angle_alpha   100.081
_cell_angle_beta   95.210
_cell_angle_gamma   104.705
_symmetry_Int_Tables_number   1
_cell_volume   217.333
_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
  Mn  Mn0  1  0.850  0.804  0.299  1.0
  Mn  Mn1  1  0.150  0.196  0.701  1.0
  Mo  Mo2  1  0.761  0.621  0.750  1.0
  Mo  Mo3  1  0.239  0.379  0.250  1.0
  O  O4  1  0.875  0.867  0.622  1.0
  O  O5  1  0.125  0.133  0.378  1.0
  O  O6  1  0.892  0.375  0.674  1.0
  O  O7  1  0.108  0.625  0.326  1.0
  O  O8  1  0.424  0.511  0.708  1.0
  O  O9  1  0.576  0.489  0.292  1.0
  O  O10  1  0.862  0.731  0.999  1.0
  O  O11  1  0.138  0.269  0.001  1.0
  O  O12  1  0.619  0.956  0.268  1.0
  O  O13  1  0.381  0.044  0.732  1.0
[/CIF]
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The material structure described by MoMnO5 crystallizes in the triclinic P-1 space group. Mo(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MoO4 tetrahedra that share corners with five equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-57°. Mn(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form MnO6 octahedra that share corners with five equivalent Mo(1)O4 tetrahedra and  an edgeedge with one Mn(1)O6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mo(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mn(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mn(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mn(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Mn(1) atom. is represented by the CIF file [CIF]
data_MnMoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.552
_cell_length_b   5.823
_cell_length_c   7.131
_cell_angle_alpha   100.081
_cell_angle_beta   95.210
_cell_angle_gamma   104.705
_symmetry_Int_Tables_number   1
_cell_volume   217.333
_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
  Mn  Mn0  1  0.850  0.804  0.299  1.0
  Mn  Mn1  1  0.150  0.196  0.701  1.0
  Mo  Mo2  1  0.761  0.621  0.750  1.0
  Mo  Mo3  1  0.239  0.379  0.250  1.0
  O  O4  1  0.875  0.867  0.622  1.0
  O  O5  1  0.125  0.133  0.378  1.0
  O  O6  1  0.892  0.375  0.674  1.0
  O  O7  1  0.108  0.625  0.326  1.0
  O  O8  1  0.424  0.511  0.708  1.0
  O  O9  1  0.576  0.489  0.292  1.0
  O  O10  1  0.862  0.731  0.999  1.0
  O  O11  1  0.138  0.269  0.001  1.0
  O  O12  1  0.619  0.956  0.268  1.0
  O  O13  1  0.381  0.044  0.732  1.0
[/CIF]
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