The crystal structure described by In2Mn2O7 crystallizes in the cubic Fd-3m space group. Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and edges with six equivalent In(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 49°. In(1) is bonded to two equivalent O(2) and six equivalent O(1) atoms to form distorted InO8 hexagonal bipyramids that share edges with six equivalent In(1)O8 hexagonal bipyramids and edges with six equivalent Mn(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mn(1) and two equivalent In(1) atoms. In the second O site, O(2) is bonded to four equivalent In(1) atoms to form corner-sharing OIn4 tetrahedra. is represented by the CIF file [CIF]
data_Mn2In2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.880
_cell_length_b   6.880
_cell_length_c   6.880
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   230.243
_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  0.000  1.000  0.500  1.0
  Mn  Mn1  1  1.000  0.500  0.000  1.0
  Mn  Mn2  1  0.500  1.000  0.000  1.0
  Mn  Mn3  1  0.000  1.000  1.000  1.0
  In  In4  1  0.500  0.500  1.000  1.0
  In  In5  1  0.500  1.000  0.500  1.0
  In  In6  1  0.000  0.500  0.500  1.0
  In  In7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.330  0.920  0.920  1.0
  O  O9  1  0.920  0.330  0.330  1.0
  O  O10  1  0.920  0.330  0.920  1.0
  O  O11  1  0.330  0.920  0.330  1.0
  O  O12  1  0.920  0.920  0.330  1.0
  O  O13  1  0.330  0.330  0.920  1.0
  O  O14  1  0.670  0.080  0.080  1.0
  O  O15  1  0.080  0.670  0.670  1.0
  O  O16  1  0.080  0.670  0.080  1.0
  O  O17  1  0.670  0.080  0.670  1.0
  O  O18  1  0.080  0.080  0.670  1.0
  O  O19  1  0.670  0.670  0.080  1.0
  O  O20  1  0.375  0.375  0.375  1.0
  O  O21  1  0.625  0.625  0.625  1.0
[/CIF]
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The crystal structure described by In2Mn2O7 crystallizes in the cubic Fd-3m space group. Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and edges with six equivalent In(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 49°. In(1) is bonded to two equivalent O(2) and six equivalent O(1) atoms to form distorted InO8 hexagonal bipyramids that share edges with six equivalent In(1)O8 hexagonal bipyramids and edges with six equivalent Mn(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mn(1) and two equivalent In(1) atoms. In the second O site, O(2) is bonded to four equivalent In(1) atoms to form corner-sharing OIn4 tetrahedra. is represented by the CIF file [CIF]
data_Mn2In2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.880
_cell_length_b   6.880
_cell_length_c   6.880
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   230.243
_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  0.000  1.000  0.500  1.0
  Mn  Mn1  1  1.000  0.500  0.000  1.0
  Mn  Mn2  1  0.500  1.000  0.000  1.0
  Mn  Mn3  1  0.000  1.000  1.000  1.0
  In  In4  1  0.500  0.500  1.000  1.0
  In  In5  1  0.500  1.000  0.500  1.0
  In  In6  1  0.000  0.500  0.500  1.0
  In  In7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.330  0.920  0.920  1.0
  O  O9  1  0.920  0.330  0.330  1.0
  O  O10  1  0.920  0.330  0.920  1.0
  O  O11  1  0.330  0.920  0.330  1.0
  O  O12  1  0.920  0.920  0.330  1.0
  O  O13  1  0.330  0.330  0.920  1.0
  O  O14  1  0.670  0.080  0.080  1.0
  O  O15  1  0.080  0.670  0.670  1.0
  O  O16  1  0.080  0.670  0.080  1.0
  O  O17  1  0.670  0.080  0.670  1.0
  O  O18  1  0.080  0.080  0.670  1.0
  O  O19  1  0.670  0.670  0.080  1.0
  O  O20  1  0.375  0.375  0.375  1.0
  O  O21  1  0.625  0.625  0.625  1.0
[/CIF]
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