The crystal structure described by NaMn2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. Na(1) is bonded to four equivalent O(1) atoms to form NaO4 tetrahedra that share corners with twelve equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-63°. Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Na(1)O4 tetrahedra and edges with six equivalent Mn(1)O6 octahedra. O(1) is bonded to one Na(1) and three equivalent Mn(1) atoms to form a mixture of corner and edge-sharing ONaMn3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.229
_cell_length_b   6.229
_cell_length_c   6.229
_cell_angle_alpha   122.091
_cell_angle_beta   122.091
_cell_angle_gamma   86.415
_symmetry_Int_Tables_number   1
_cell_volume   165.167
_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  0.000  0.000  0.000  1.0
  Na  Na1  1  0.750  0.250  0.500  1.0
  Mn  Mn2  1  0.375  0.625  0.750  1.0
  Mn  Mn3  1  0.875  0.625  0.250  1.0
  Mn  Mn4  1  0.375  0.125  0.750  1.0
  Mn  Mn5  1  0.375  0.625  0.250  1.0
  O  O6  1  0.144  0.433  0.289  1.0
  O  O7  1  0.606  0.395  0.789  1.0
  O  O8  1  0.567  0.856  0.711  1.0
  O  O9  1  0.145  0.856  0.289  1.0
  O  O10  1  0.606  0.817  0.211  1.0
  O  O11  1  0.144  0.855  0.711  1.0
  O  O12  1  0.605  0.394  0.211  1.0
  O  O13  1  0.183  0.394  0.789  1.0
[/CIF]
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The crystal structure described by NaMn2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. Na(1) is bonded to four equivalent O(1) atoms to form NaO4 tetrahedra that share corners with twelve equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-63°. Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Na(1)O4 tetrahedra and edges with six equivalent Mn(1)O6 octahedra. O(1) is bonded to one Na(1) and three equivalent Mn(1) atoms to form a mixture of corner and edge-sharing ONaMn3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.229
_cell_length_b   6.229
_cell_length_c   6.229
_cell_angle_alpha   122.091
_cell_angle_beta   122.091
_cell_angle_gamma   86.415
_symmetry_Int_Tables_number   1
_cell_volume   165.167
_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  0.000  0.000  0.000  1.0
  Na  Na1  1  0.750  0.250  0.500  1.0
  Mn  Mn2  1  0.375  0.625  0.750  1.0
  Mn  Mn3  1  0.875  0.625  0.250  1.0
  Mn  Mn4  1  0.375  0.125  0.750  1.0
  Mn  Mn5  1  0.375  0.625  0.250  1.0
  O  O6  1  0.144  0.433  0.289  1.0
  O  O7  1  0.606  0.395  0.789  1.0
  O  O8  1  0.567  0.856  0.711  1.0
  O  O9  1  0.145  0.856  0.289  1.0
  O  O10  1  0.606  0.817  0.211  1.0
  O  O11  1  0.144  0.855  0.711  1.0
  O  O12  1  0.605  0.394  0.211  1.0
  O  O13  1  0.183  0.394  0.789  1.0
[/CIF]
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