The material described by InMnO3 crystallizes in the hexagonal P6_3/mmc space group. Mn(1) is bonded to two equivalent O(1) and three equivalent O(2) atoms to form MnO5 trigonal bipyramids that share corners with six equivalent In(1)O6 octahedra and corners with six equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 63°. In(1) is bonded to six equivalent O(1) atoms to form distorted InO6 octahedra that share corners with six equivalent Mn(1)O5 trigonal bipyramids and edges with six equivalent In(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to three equivalent Mn(1) atoms. In the second O site, O(1) is bonded to one Mn(1) and three equivalent In(1) atoms to form a mixture of edge and corner-sharing OMnIn3 tetrahedra. is represented by the CIF file [CIF]
data_MnInO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.461
_cell_length_b   3.463
_cell_length_c   11.825
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   60.014
_symmetry_Int_Tables_number   1
_cell_volume   122.768
_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  0.333  0.334  0.250  1.0
  Mn  Mn1  1  0.667  0.666  0.750  1.0
  In  In2  1  1.000  0.000  0.500  1.0
  In  In3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.333  0.333  0.415  1.0
  O  O5  1  0.667  0.667  0.585  1.0
  O  O6  1  0.667  0.667  0.915  1.0
  O  O7  1  0.333  0.333  0.085  1.0
  O  O8  1  0.000  1.000  0.250  1.0
  O  O9  1  1.000  0.000  0.750  1.0
[/CIF]
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The material described by InMnO3 crystallizes in the hexagonal P6_3/mmc space group. Mn(1) is bonded to two equivalent O(1) and three equivalent O(2) atoms to form MnO5 trigonal bipyramids that share corners with six equivalent In(1)O6 octahedra and corners with six equivalent Mn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 63°. In(1) is bonded to six equivalent O(1) atoms to form distorted InO6 octahedra that share corners with six equivalent Mn(1)O5 trigonal bipyramids and edges with six equivalent In(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to three equivalent Mn(1) atoms. In the second O site, O(1) is bonded to one Mn(1) and three equivalent In(1) atoms to form a mixture of edge and corner-sharing OMnIn3 tetrahedra. is represented by the CIF file [CIF]
data_MnInO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.461
_cell_length_b   3.463
_cell_length_c   11.825
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   60.014
_symmetry_Int_Tables_number   1
_cell_volume   122.768
_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  0.333  0.334  0.250  1.0
  Mn  Mn1  1  0.667  0.666  0.750  1.0
  In  In2  1  1.000  0.000  0.500  1.0
  In  In3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.333  0.333  0.415  1.0
  O  O5  1  0.667  0.667  0.585  1.0
  O  O6  1  0.667  0.667  0.915  1.0
  O  O7  1  0.333  0.333  0.085  1.0
  O  O8  1  0.000  1.000  0.250  1.0
  O  O9  1  1.000  0.000  0.750  1.0
[/CIF]
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