The crystal structure described by Na4MnO5 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Na(3)O6 octahedra, corners with four equivalent Mn(1)O4 tetrahedra, and faces with two equivalent Na(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-61°. In the third Na site, Na(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Mn(1)O4 tetrahedra, edges with two equivalent Na(3)O6 octahedra, and faces with two equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. Mn(1) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form MnO4 tetrahedra that share corners with four equivalent Na(2)O6 octahedra and corners with four equivalent Na(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-51°. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted single-bond geometry to one Na(2), two equivalent Na(1), two equivalent Na(3), and one Mn(1) atom. In the second O site, O(1) is bonded to two equivalent Na(1), two equivalent Na(2), and two equivalent Na(3) atoms to form distorted corner-sharing ONa6 pentagonal pyramids. In the third O site, O(2) is bonded in a 6-coordinate geometry to one Na(2), four equivalent Na(1), and one Mn(1) atom. In the fourth O site, O(3) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), two equivalent Na(1), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Na4MnO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.475
_cell_length_b   9.111
_cell_length_c   8.340
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   567.935
_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  0.493  0.869  0.648  1.0
  Na  Na1  1  0.507  0.131  0.352  1.0
  Na  Na2  1  0.507  0.631  0.148  1.0
  Na  Na3  1  0.993  0.131  0.352  1.0
  Na  Na4  1  0.493  0.369  0.852  1.0
  Na  Na5  1  0.007  0.869  0.648  1.0
  Na  Na6  1  0.007  0.369  0.852  1.0
  Na  Na7  1  0.993  0.631  0.148  1.0
  Na  Na8  1  0.750  0.862  0.274  1.0
  Na  Na9  1  0.250  0.138  0.726  1.0
  Na  Na10  1  0.250  0.638  0.774  1.0
  Na  Na11  1  0.750  0.362  0.226  1.0
  Na  Na12  1  0.000  0.000  0.000  1.0
  Na  Na13  1  0.000  0.500  0.500  1.0
  Na  Na14  1  0.500  0.000  0.000  1.0
  Na  Na15  1  0.500  0.500  0.500  1.0
  Mn  Mn16  1  0.750  0.638  0.852  1.0
  Mn  Mn17  1  0.250  0.362  0.148  1.0
  Mn  Mn18  1  0.250  0.862  0.352  1.0
  Mn  Mn19  1  0.750  0.138  0.648  1.0
  O  O20  1  0.750  0.608  0.332  1.0
  O  O21  1  0.250  0.392  0.668  1.0
  O  O22  1  0.250  0.892  0.832  1.0
  O  O23  1  0.750  0.108  0.168  1.0
  O  O24  1  0.750  0.988  0.521  1.0
  O  O25  1  0.250  0.012  0.479  1.0
  O  O26  1  0.250  0.512  0.021  1.0
  O  O27  1  0.750  0.488  0.979  1.0
  O  O28  1  0.939  0.628  0.737  1.0
  O  O29  1  0.061  0.372  0.263  1.0
  O  O30  1  0.061  0.872  0.237  1.0
  O  O31  1  0.439  0.372  0.263  1.0
  O  O32  1  0.939  0.128  0.763  1.0
  O  O33  1  0.561  0.628  0.737  1.0
  O  O34  1  0.561  0.128  0.763  1.0
  O  O35  1  0.439  0.872  0.237  1.0
  O  O36  1  0.750  0.789  0.973  1.0
  O  O37  1  0.250  0.211  0.027  1.0
  O  O38  1  0.250  0.711  0.473  1.0
  O  O39  1  0.750  0.289  0.527  1.0
[/CIF]
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The crystal structure described by Na4MnO5 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Na(3)O6 octahedra, corners with four equivalent Mn(1)O4 tetrahedra, and faces with two equivalent Na(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-61°. In the third Na site, Na(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with four equivalent Mn(1)O4 tetrahedra, edges with two equivalent Na(3)O6 octahedra, and faces with two equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. Mn(1) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form MnO4 tetrahedra that share corners with four equivalent Na(2)O6 octahedra and corners with four equivalent Na(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-51°. There are four inequivalent O sites. In the first O site, O(4) is bonded in a distorted single-bond geometry to one Na(2), two equivalent Na(1), two equivalent Na(3), and one Mn(1) atom. In the second O site, O(1) is bonded to two equivalent Na(1), two equivalent Na(2), and two equivalent Na(3) atoms to form distorted corner-sharing ONa6 pentagonal pyramids. In the third O site, O(2) is bonded in a 6-coordinate geometry to one Na(2), four equivalent Na(1), and one Mn(1) atom. In the fourth O site, O(3) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), two equivalent Na(1), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Na4MnO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.475
_cell_length_b   9.111
_cell_length_c   8.340
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   567.935
_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  0.493  0.869  0.648  1.0
  Na  Na1  1  0.507  0.131  0.352  1.0
  Na  Na2  1  0.507  0.631  0.148  1.0
  Na  Na3  1  0.993  0.131  0.352  1.0
  Na  Na4  1  0.493  0.369  0.852  1.0
  Na  Na5  1  0.007  0.869  0.648  1.0
  Na  Na6  1  0.007  0.369  0.852  1.0
  Na  Na7  1  0.993  0.631  0.148  1.0
  Na  Na8  1  0.750  0.862  0.274  1.0
  Na  Na9  1  0.250  0.138  0.726  1.0
  Na  Na10  1  0.250  0.638  0.774  1.0
  Na  Na11  1  0.750  0.362  0.226  1.0
  Na  Na12  1  0.000  0.000  0.000  1.0
  Na  Na13  1  0.000  0.500  0.500  1.0
  Na  Na14  1  0.500  0.000  0.000  1.0
  Na  Na15  1  0.500  0.500  0.500  1.0
  Mn  Mn16  1  0.750  0.638  0.852  1.0
  Mn  Mn17  1  0.250  0.362  0.148  1.0
  Mn  Mn18  1  0.250  0.862  0.352  1.0
  Mn  Mn19  1  0.750  0.138  0.648  1.0
  O  O20  1  0.750  0.608  0.332  1.0
  O  O21  1  0.250  0.392  0.668  1.0
  O  O22  1  0.250  0.892  0.832  1.0
  O  O23  1  0.750  0.108  0.168  1.0
  O  O24  1  0.750  0.988  0.521  1.0
  O  O25  1  0.250  0.012  0.479  1.0
  O  O26  1  0.250  0.512  0.021  1.0
  O  O27  1  0.750  0.488  0.979  1.0
  O  O28  1  0.939  0.628  0.737  1.0
  O  O29  1  0.061  0.372  0.263  1.0
  O  O30  1  0.061  0.872  0.237  1.0
  O  O31  1  0.439  0.372  0.263  1.0
  O  O32  1  0.939  0.128  0.763  1.0
  O  O33  1  0.561  0.628  0.737  1.0
  O  O34  1  0.561  0.128  0.763  1.0
  O  O35  1  0.439  0.872  0.237  1.0
  O  O36  1  0.750  0.789  0.973  1.0
  O  O37  1  0.250  0.211  0.027  1.0
  O  O38  1  0.250  0.711  0.473  1.0
  O  O39  1  0.750  0.289  0.527  1.0
[/CIF]
.