The material structure described by Na2Mn2O3 is Ilmenite-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing MnO4 trigonal pyramids. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing MnO4 trigonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), one Mn(1), and one Mn(2) atom to form distorted corner-sharing ONa2Mn2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 49-71°. In the second O site, O(2) is bonded to one Na(2), two equivalent Na(1), one Mn(1), and two equivalent Mn(2) atoms to form ONa3Mn3 octahedra that share corners with six equivalent O(1)Na2Mn2 trigonal pyramids, edges with two equivalent O(2)Na3Mn3 octahedra, and edges with four equivalent O(3)Na3Mn3 octahedra. In the third O site, O(3) is bonded to one Na(1), two equivalent Na(2), one Mn(2), and two equivalent Mn(1) atoms to form ONa3Mn3 octahedra that share corners with six equivalent O(1)Na2Mn2 trigonal pyramids, edges with two equivalent O(3)Na3Mn3 octahedra, and edges with four equivalent O(2)Na3Mn3 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2Mn2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.350
_cell_length_b   6.353
_cell_length_c   9.421
_cell_angle_alpha   90.002
_cell_angle_beta   89.999
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   380.074
_cell_formula_units_Z   4
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  0.523  0.736  0.362  1.0
  Na  Na1  1  0.477  0.264  0.862  1.0
  Na  Na2  1  0.236  0.977  0.610  1.0
  Na  Na3  1  0.764  0.023  0.110  1.0
  Na  Na4  1  0.023  0.764  0.888  1.0
  Na  Na5  1  0.977  0.236  0.388  1.0
  Na  Na6  1  0.264  0.477  0.140  1.0
  Na  Na7  1  0.736  0.523  0.640  1.0
  Mn  Mn8  1  0.741  0.040  0.634  1.0
  Mn  Mn9  1  0.759  0.540  0.116  1.0
  Mn  Mn10  1  0.259  0.960  0.134  1.0
  Mn  Mn11  1  0.241  0.460  0.616  1.0
  Mn  Mn12  1  0.460  0.241  0.384  1.0
  Mn  Mn13  1  0.960  0.259  0.866  1.0
  Mn  Mn14  1  0.540  0.759  0.884  1.0
  Mn  Mn15  1  0.040  0.741  0.366  1.0
  O  O16  1  0.188  0.189  0.001  1.0
  O  O17  1  0.688  0.311  0.250  1.0
  O  O18  1  0.812  0.811  0.501  1.0
  O  O19  1  0.312  0.689  0.749  1.0
  O  O20  1  0.745  0.005  0.855  1.0
  O  O21  1  0.255  0.995  0.355  1.0
  O  O22  1  0.245  0.495  0.395  1.0
  O  O23  1  0.994  0.255  0.645  1.0
  O  O24  1  0.506  0.755  0.105  1.0
  O  O25  1  0.494  0.245  0.605  1.0
  O  O26  1  0.755  0.505  0.895  1.0
  O  O27  1  0.006  0.745  0.145  1.0
[/CIF]
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The material structure described by Na2Mn2O3 is Ilmenite-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing MnO4 trigonal pyramids. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing MnO4 trigonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(2), one Mn(1), and one Mn(2) atom to form distorted corner-sharing ONa2Mn2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 49-71°. In the second O site, O(2) is bonded to one Na(2), two equivalent Na(1), one Mn(1), and two equivalent Mn(2) atoms to form ONa3Mn3 octahedra that share corners with six equivalent O(1)Na2Mn2 trigonal pyramids, edges with two equivalent O(2)Na3Mn3 octahedra, and edges with four equivalent O(3)Na3Mn3 octahedra. In the third O site, O(3) is bonded to one Na(1), two equivalent Na(2), one Mn(2), and two equivalent Mn(1) atoms to form ONa3Mn3 octahedra that share corners with six equivalent O(1)Na2Mn2 trigonal pyramids, edges with two equivalent O(3)Na3Mn3 octahedra, and edges with four equivalent O(2)Na3Mn3 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2Mn2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.350
_cell_length_b   6.353
_cell_length_c   9.421
_cell_angle_alpha   90.002
_cell_angle_beta   89.999
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   380.074
_cell_formula_units_Z   4
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  0.523  0.736  0.362  1.0
  Na  Na1  1  0.477  0.264  0.862  1.0
  Na  Na2  1  0.236  0.977  0.610  1.0
  Na  Na3  1  0.764  0.023  0.110  1.0
  Na  Na4  1  0.023  0.764  0.888  1.0
  Na  Na5  1  0.977  0.236  0.388  1.0
  Na  Na6  1  0.264  0.477  0.140  1.0
  Na  Na7  1  0.736  0.523  0.640  1.0
  Mn  Mn8  1  0.741  0.040  0.634  1.0
  Mn  Mn9  1  0.759  0.540  0.116  1.0
  Mn  Mn10  1  0.259  0.960  0.134  1.0
  Mn  Mn11  1  0.241  0.460  0.616  1.0
  Mn  Mn12  1  0.460  0.241  0.384  1.0
  Mn  Mn13  1  0.960  0.259  0.866  1.0
  Mn  Mn14  1  0.540  0.759  0.884  1.0
  Mn  Mn15  1  0.040  0.741  0.366  1.0
  O  O16  1  0.188  0.189  0.001  1.0
  O  O17  1  0.688  0.311  0.250  1.0
  O  O18  1  0.812  0.811  0.501  1.0
  O  O19  1  0.312  0.689  0.749  1.0
  O  O20  1  0.745  0.005  0.855  1.0
  O  O21  1  0.255  0.995  0.355  1.0
  O  O22  1  0.245  0.495  0.395  1.0
  O  O23  1  0.994  0.255  0.645  1.0
  O  O24  1  0.506  0.755  0.105  1.0
  O  O25  1  0.494  0.245  0.605  1.0
  O  O26  1  0.755  0.505  0.895  1.0
  O  O27  1  0.006  0.745  0.145  1.0
[/CIF]
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