The material structure described by NaMnO4 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing MnO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Mn(1), and one O(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Na(1) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.482
_cell_length_b   6.439
_cell_length_c   11.049
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   389.983
_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  0.750  0.430  0.197  1.0
  Na  Na1  1  0.750  0.070  0.697  1.0
  Na  Na2  1  0.250  0.930  0.303  1.0
  Na  Na3  1  0.250  0.570  0.803  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  Mn  Mn5  1  0.000  0.500  0.500  1.0
  Mn  Mn6  1  0.500  0.000  0.000  1.0
  Mn  Mn7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.750  0.560  0.387  1.0
  O  O9  1  0.628  0.758  0.097  1.0
  O  O10  1  0.872  0.758  0.097  1.0
  O  O11  1  0.250  0.657  0.426  1.0
  O  O12  1  0.250  0.843  0.926  1.0
  O  O13  1  0.628  0.742  0.597  1.0
  O  O14  1  0.872  0.742  0.597  1.0
  O  O15  1  0.750  0.940  0.887  1.0
  O  O16  1  0.250  0.060  0.113  1.0
  O  O17  1  0.372  0.258  0.403  1.0
  O  O18  1  0.128  0.258  0.403  1.0
  O  O19  1  0.750  0.157  0.074  1.0
  O  O20  1  0.750  0.343  0.574  1.0
  O  O21  1  0.372  0.242  0.903  1.0
  O  O22  1  0.128  0.242  0.903  1.0
  O  O23  1  0.250  0.440  0.613  1.0
[/CIF]
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The material structure described by NaMnO4 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing MnO6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Mn(1), and one O(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Na(1) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.482
_cell_length_b   6.439
_cell_length_c   11.049
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   389.983
_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  0.750  0.430  0.197  1.0
  Na  Na1  1  0.750  0.070  0.697  1.0
  Na  Na2  1  0.250  0.930  0.303  1.0
  Na  Na3  1  0.250  0.570  0.803  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  Mn  Mn5  1  0.000  0.500  0.500  1.0
  Mn  Mn6  1  0.500  0.000  0.000  1.0
  Mn  Mn7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.750  0.560  0.387  1.0
  O  O9  1  0.628  0.758  0.097  1.0
  O  O10  1  0.872  0.758  0.097  1.0
  O  O11  1  0.250  0.657  0.426  1.0
  O  O12  1  0.250  0.843  0.926  1.0
  O  O13  1  0.628  0.742  0.597  1.0
  O  O14  1  0.872  0.742  0.597  1.0
  O  O15  1  0.750  0.940  0.887  1.0
  O  O16  1  0.250  0.060  0.113  1.0
  O  O17  1  0.372  0.258  0.403  1.0
  O  O18  1  0.128  0.258  0.403  1.0
  O  O19  1  0.750  0.157  0.074  1.0
  O  O20  1  0.750  0.343  0.574  1.0
  O  O21  1  0.372  0.242  0.903  1.0
  O  O22  1  0.128  0.242  0.903  1.0
  O  O23  1  0.250  0.440  0.613  1.0
[/CIF]
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