The crystal structure described by NaMn2O4 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form edge-sharing MnO6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing MnO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Mn(2), and two equivalent Mn(1) atoms to form distorted ONaMn3 trigonal pyramids that share corners with four equivalent O(2)Na2Mn3 square pyramids, corners with six equivalent O(1)NaMn3 trigonal pyramids, edges with four equivalent O(2)Na2Mn3 square pyramids, and  an edgeedge with one O(1)NaMn3 trigonal pyramid. In the second O site, O(2) is bonded to two equivalent Na(1), one Mn(1), and two equivalent Mn(2) atoms to form ONa2Mn3 square pyramids that share corners with five equivalent O(2)Na2Mn3 square pyramids, corners with four equivalent O(1)NaMn3 trigonal pyramids, edges with four equivalent O(2)Na2Mn3 square pyramids, and edges with four equivalent O(1)NaMn3 trigonal pyramids. is represented by the CIF card [CIF]
data_NaMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.015
_cell_length_b   5.153
_cell_length_c   5.862
_cell_angle_alpha   106.941
_cell_angle_beta   91.056
_cell_angle_gamma   93.358
_symmetry_Int_Tables_number   1
_cell_volume   86.926
_cell_formula_units_Z   1
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  0.500  0.000  0.500  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  O  O3  1  0.475  0.784  0.825  1.0
  O  O4  1  0.036  0.249  0.810  1.0
  O  O5  1  0.964  0.751  0.190  1.0
  O  O6  1  0.525  0.216  0.175  1.0
[/CIF]
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The crystal structure described by NaMn2O4 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form edge-sharing MnO6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing MnO6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Mn(2), and two equivalent Mn(1) atoms to form distorted ONaMn3 trigonal pyramids that share corners with four equivalent O(2)Na2Mn3 square pyramids, corners with six equivalent O(1)NaMn3 trigonal pyramids, edges with four equivalent O(2)Na2Mn3 square pyramids, and  an edgeedge with one O(1)NaMn3 trigonal pyramid. In the second O site, O(2) is bonded to two equivalent Na(1), one Mn(1), and two equivalent Mn(2) atoms to form ONa2Mn3 square pyramids that share corners with five equivalent O(2)Na2Mn3 square pyramids, corners with four equivalent O(1)NaMn3 trigonal pyramids, edges with four equivalent O(2)Na2Mn3 square pyramids, and edges with four equivalent O(1)NaMn3 trigonal pyramids. is represented by the CIF card [CIF]
data_NaMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.015
_cell_length_b   5.153
_cell_length_c   5.862
_cell_angle_alpha   106.941
_cell_angle_beta   91.056
_cell_angle_gamma   93.358
_symmetry_Int_Tables_number   1
_cell_volume   86.926
_cell_formula_units_Z   1
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  0.500  0.000  0.500  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  O  O3  1  0.475  0.784  0.825  1.0
  O  O4  1  0.036  0.249  0.810  1.0
  O  O5  1  0.964  0.751  0.190  1.0
  O  O6  1  0.525  0.216  0.175  1.0
[/CIF]
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