The material described by Na2Mn2O3 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 5-coordinate geometry to two equivalent O(1) and three equivalent O(2) atoms. Mn(1) is bonded to one O(1) and three equivalent O(2) atoms to form a mixture of edge and corner-sharing MnO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Na(1) and two equivalent Mn(1) atoms to form distorted corner-sharing ONa4Mn2 octahedra. The corner-sharing octahedral tilt angles are 66°. In the second O site, O(2) is bonded in a 6-coordinate geometry to three equivalent Na(1) and three equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Na2Mn2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.895
_cell_length_b   6.114
_cell_length_c   6.340
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   115.992
_symmetry_Int_Tables_number   1
_cell_volume   205.403
_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
  Na  Na0  1  0.924  0.212  0.646  1.0
  Na  Na1  1  0.424  0.212  0.854  1.0
  Na  Na2  1  0.576  0.788  0.146  1.0
  Na  Na3  1  0.076  0.788  0.354  1.0
  Mn  Mn4  1  0.956  0.679  0.879  1.0
  Mn  Mn5  1  0.456  0.679  0.621  1.0
  Mn  Mn6  1  0.544  0.321  0.379  1.0
  Mn  Mn7  1  0.044  0.321  0.121  1.0
  O  O8  1  0.500  1.000  0.500  1.0
  O  O9  1  1.000  1.000  1.000  1.0
  O  O10  1  0.740  0.412  0.101  1.0
  O  O11  1  0.760  0.588  0.601  1.0
  O  O12  1  0.240  0.412  0.399  1.0
  O  O13  1  0.260  0.588  0.899  1.0
[/CIF]
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The material described by Na2Mn2O3 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 5-coordinate geometry to two equivalent O(1) and three equivalent O(2) atoms. Mn(1) is bonded to one O(1) and three equivalent O(2) atoms to form a mixture of edge and corner-sharing MnO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Na(1) and two equivalent Mn(1) atoms to form distorted corner-sharing ONa4Mn2 octahedra. The corner-sharing octahedral tilt angles are 66°. In the second O site, O(2) is bonded in a 6-coordinate geometry to three equivalent Na(1) and three equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Na2Mn2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.895
_cell_length_b   6.114
_cell_length_c   6.340
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   115.992
_symmetry_Int_Tables_number   1
_cell_volume   205.403
_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
  Na  Na0  1  0.924  0.212  0.646  1.0
  Na  Na1  1  0.424  0.212  0.854  1.0
  Na  Na2  1  0.576  0.788  0.146  1.0
  Na  Na3  1  0.076  0.788  0.354  1.0
  Mn  Mn4  1  0.956  0.679  0.879  1.0
  Mn  Mn5  1  0.456  0.679  0.621  1.0
  Mn  Mn6  1  0.544  0.321  0.379  1.0
  Mn  Mn7  1  0.044  0.321  0.121  1.0
  O  O8  1  0.500  1.000  0.500  1.0
  O  O9  1  1.000  1.000  1.000  1.0
  O  O10  1  0.740  0.412  0.101  1.0
  O  O11  1  0.760  0.588  0.601  1.0
  O  O12  1  0.240  0.412  0.399  1.0
  O  O13  1  0.260  0.588  0.899  1.0
[/CIF]
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