The material described by Na4MnO3 crystallizes in the orthorhombic Ibca space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded to four equivalent O(2) atoms to form distorted NaO4 tetrahedra that share corners with two equivalent Mn(1)O4 tetrahedra, corners with four equivalent Na(3)O4 tetrahedra,  an edgeedge with one Mn(1)O4 tetrahedra, edges with two equivalent Na(2)O4 tetrahedra, and edges with two equivalent Na(3)O4 tetrahedra. In the third Na site, Na(3) is bonded to four equivalent O(2) atoms to form NaO4 tetrahedra that share corners with four equivalent Na(2)O4 tetrahedra, corners with four equivalent Mn(1)O4 tetrahedra, edges with two equivalent Na(2)O4 tetrahedra, and edges with two equivalent Na(3)O4 tetrahedra. Mn(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form MnO4 tetrahedra that share corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with four equivalent Na(3)O4 tetrahedra, and  an edgeedge with one Na(2)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Na(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to two equivalent Na(1), two equivalent Na(2), two equivalent Na(3), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing ONa6Mn pentagonal bipyramids. is represented by the CIF card [CIF]
data_Na4MnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.899
_cell_length_b   9.899
_cell_length_c   9.899
_cell_angle_alpha   147.751
_cell_angle_beta   115.527
_cell_angle_gamma   73.939
_symmetry_Int_Tables_number   1
_cell_volume   459.311
_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  0.462  0.883  0.507  1.0
  Na  Na1  1  0.527  0.777  0.750  1.0
  Na  Na2  1  0.962  0.456  0.579  1.0
  Na  Na3  1  0.750  0.348  0.598  1.0
  Na  Na4  1  0.250  0.152  0.902  1.0
  Na  Na5  1  0.377  0.383  0.921  1.0
  Na  Na6  1  0.123  0.044  0.007  1.0
  Na  Na7  1  0.027  0.277  0.750  1.0
  Na  Na8  1  0.973  0.723  0.250  1.0
  Na  Na9  1  0.877  0.956  0.993  1.0
  Na  Na10  1  0.623  0.617  0.079  1.0
  Na  Na11  1  0.750  0.848  0.098  1.0
  Na  Na12  1  0.250  0.652  0.402  1.0
  Na  Na13  1  0.038  0.544  0.421  1.0
  Na  Na14  1  0.473  0.223  0.250  1.0
  Na  Na15  1  0.538  0.117  0.493  1.0
  Mn  Mn16  1  0.828  0.078  0.750  1.0
  Mn  Mn17  1  0.328  0.578  0.750  1.0
  Mn  Mn18  1  0.672  0.422  0.250  1.0
  Mn  Mn19  1  0.172  0.922  0.250  1.0
  O  O20  1  0.858  0.750  0.608  1.0
  O  O21  1  0.288  0.831  0.789  1.0
  O  O22  1  0.212  0.001  0.543  1.0
  O  O23  1  0.642  0.250  0.892  1.0
  O  O24  1  0.542  0.499  0.711  1.0
  O  O25  1  0.958  0.669  0.957  1.0
  O  O26  1  0.458  0.501  0.289  1.0
  O  O27  1  0.042  0.331  0.043  1.0
  O  O28  1  0.358  0.750  0.108  1.0
  O  O29  1  0.712  0.169  0.211  1.0
  O  O30  1  0.788  0.999  0.457  1.0
  O  O31  1  0.142  0.250  0.392  1.0
[/CIF]
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The material described by Na4MnO3 crystallizes in the orthorhombic Ibca space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded to four equivalent O(2) atoms to form distorted NaO4 tetrahedra that share corners with two equivalent Mn(1)O4 tetrahedra, corners with four equivalent Na(3)O4 tetrahedra,  an edgeedge with one Mn(1)O4 tetrahedra, edges with two equivalent Na(2)O4 tetrahedra, and edges with two equivalent Na(3)O4 tetrahedra. In the third Na site, Na(3) is bonded to four equivalent O(2) atoms to form NaO4 tetrahedra that share corners with four equivalent Na(2)O4 tetrahedra, corners with four equivalent Mn(1)O4 tetrahedra, edges with two equivalent Na(2)O4 tetrahedra, and edges with two equivalent Na(3)O4 tetrahedra. Mn(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form MnO4 tetrahedra that share corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with four equivalent Na(3)O4 tetrahedra, and  an edgeedge with one Na(2)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Na(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to two equivalent Na(1), two equivalent Na(2), two equivalent Na(3), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing ONa6Mn pentagonal bipyramids. is represented by the CIF card [CIF]
data_Na4MnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.899
_cell_length_b   9.899
_cell_length_c   9.899
_cell_angle_alpha   147.751
_cell_angle_beta   115.527
_cell_angle_gamma   73.939
_symmetry_Int_Tables_number   1
_cell_volume   459.311
_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  0.462  0.883  0.507  1.0
  Na  Na1  1  0.527  0.777  0.750  1.0
  Na  Na2  1  0.962  0.456  0.579  1.0
  Na  Na3  1  0.750  0.348  0.598  1.0
  Na  Na4  1  0.250  0.152  0.902  1.0
  Na  Na5  1  0.377  0.383  0.921  1.0
  Na  Na6  1  0.123  0.044  0.007  1.0
  Na  Na7  1  0.027  0.277  0.750  1.0
  Na  Na8  1  0.973  0.723  0.250  1.0
  Na  Na9  1  0.877  0.956  0.993  1.0
  Na  Na10  1  0.623  0.617  0.079  1.0
  Na  Na11  1  0.750  0.848  0.098  1.0
  Na  Na12  1  0.250  0.652  0.402  1.0
  Na  Na13  1  0.038  0.544  0.421  1.0
  Na  Na14  1  0.473  0.223  0.250  1.0
  Na  Na15  1  0.538  0.117  0.493  1.0
  Mn  Mn16  1  0.828  0.078  0.750  1.0
  Mn  Mn17  1  0.328  0.578  0.750  1.0
  Mn  Mn18  1  0.672  0.422  0.250  1.0
  Mn  Mn19  1  0.172  0.922  0.250  1.0
  O  O20  1  0.858  0.750  0.608  1.0
  O  O21  1  0.288  0.831  0.789  1.0
  O  O22  1  0.212  0.001  0.543  1.0
  O  O23  1  0.642  0.250  0.892  1.0
  O  O24  1  0.542  0.499  0.711  1.0
  O  O25  1  0.958  0.669  0.957  1.0
  O  O26  1  0.458  0.501  0.289  1.0
  O  O27  1  0.042  0.331  0.043  1.0
  O  O28  1  0.358  0.750  0.108  1.0
  O  O29  1  0.712  0.169  0.211  1.0
  O  O30  1  0.788  0.999  0.457  1.0
  O  O31  1  0.142  0.250  0.392  1.0
[/CIF]
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