The crystal structure described by Mn5O7 crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the second Mn site, Mn(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Mn(3) atoms. In the second O site, O(1) is bonded to two equivalent Mn(2) and three equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OMn5 square pyramids. In the third O site, O(2) is bonded in a trigonal non-coplanar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the fourth O site, O(3) is bonded to one Mn(2), two equivalent Mn(1), and two equivalent Mn(3) atoms to form a mixture of edge and corner-sharing OMn5 square pyramids. is represented by the CIF card [CIF]
data_Mn5O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.374
_cell_length_b   5.374
_cell_length_c   18.825
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   147.147
_symmetry_Int_Tables_number   1
_cell_volume   294.958
_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  0.732  0.268  0.576  1.0
  Mn  Mn1  1  0.000  0.000  0.500  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Mn  Mn3  1  0.268  0.732  0.424  1.0
  Mn  Mn4  1  0.268  0.732  0.076  1.0
  Mn  Mn5  1  0.732  0.268  0.924  1.0
  Mn  Mn6  1  0.528  0.472  0.158  1.0
  Mn  Mn7  1  0.472  0.528  0.842  1.0
  Mn  Mn8  1  0.472  0.528  0.658  1.0
  Mn  Mn9  1  0.528  0.472  0.342  1.0
  O  O10  1  0.357  0.643  0.974  1.0
  O  O11  1  0.643  0.357  0.026  1.0
  O  O12  1  0.643  0.357  0.474  1.0
  O  O13  1  0.357  0.643  0.526  1.0
  O  O14  1  0.852  0.148  0.844  1.0
  O  O15  1  0.148  0.852  0.156  1.0
  O  O16  1  0.148  0.852  0.344  1.0
  O  O17  1  0.852  0.148  0.656  1.0
  O  O18  1  0.093  0.907  0.895  1.0
  O  O19  1  0.907  0.093  0.105  1.0
  O  O20  1  0.907  0.093  0.395  1.0
  O  O21  1  0.093  0.907  0.605  1.0
  O  O22  1  0.538  0.462  0.750  1.0
  O  O23  1  0.462  0.538  0.250  1.0
[/CIF]
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The crystal structure described by Mn5O7 crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the second Mn site, Mn(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 13°. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Mn(3) atoms. In the second O site, O(1) is bonded to two equivalent Mn(2) and three equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OMn5 square pyramids. In the third O site, O(2) is bonded in a trigonal non-coplanar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the fourth O site, O(3) is bonded to one Mn(2), two equivalent Mn(1), and two equivalent Mn(3) atoms to form a mixture of edge and corner-sharing OMn5 square pyramids. is represented by the CIF card [CIF]
data_Mn5O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.374
_cell_length_b   5.374
_cell_length_c   18.825
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   147.147
_symmetry_Int_Tables_number   1
_cell_volume   294.958
_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  0.732  0.268  0.576  1.0
  Mn  Mn1  1  0.000  0.000  0.500  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Mn  Mn3  1  0.268  0.732  0.424  1.0
  Mn  Mn4  1  0.268  0.732  0.076  1.0
  Mn  Mn5  1  0.732  0.268  0.924  1.0
  Mn  Mn6  1  0.528  0.472  0.158  1.0
  Mn  Mn7  1  0.472  0.528  0.842  1.0
  Mn  Mn8  1  0.472  0.528  0.658  1.0
  Mn  Mn9  1  0.528  0.472  0.342  1.0
  O  O10  1  0.357  0.643  0.974  1.0
  O  O11  1  0.643  0.357  0.026  1.0
  O  O12  1  0.643  0.357  0.474  1.0
  O  O13  1  0.357  0.643  0.526  1.0
  O  O14  1  0.852  0.148  0.844  1.0
  O  O15  1  0.148  0.852  0.156  1.0
  O  O16  1  0.148  0.852  0.344  1.0
  O  O17  1  0.852  0.148  0.656  1.0
  O  O18  1  0.093  0.907  0.895  1.0
  O  O19  1  0.907  0.093  0.105  1.0
  O  O20  1  0.907  0.093  0.395  1.0
  O  O21  1  0.093  0.907  0.605  1.0
  O  O22  1  0.538  0.462  0.750  1.0
  O  O23  1  0.462  0.538  0.250  1.0
[/CIF]
.