The compound described by Na2MgMn4O8 crystallizes in the tetragonal I-4m2 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to four equivalent O(1) 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 eight equivalent Mn(1)O5 trigonal bipyramids. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. Mn(1) is bonded to two equivalent O(2) and three equivalent O(1) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Na(2)O4 tetrahedra and edges with four equivalent Mn(1)O5 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Na(1) and three equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a see-saw-like geometry to one Na(2), one Mg(1), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Na2MgMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.880
_cell_length_b   7.588
_cell_length_c   5.880
_cell_angle_alpha   67.205
_cell_angle_beta   90.000
_cell_angle_gamma   112.795
_symmetry_Int_Tables_number   1
_cell_volume   219.459
_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  0.000  0.000  0.000  1.0
  Na  Na1  1  0.750  0.500  0.750  1.0
  Mg  Mg2  1  0.500  0.000  0.500  1.0
  Mn  Mn3  1  0.416  0.335  0.333  1.0
  Mn  Mn4  1  0.919  0.335  0.333  1.0
  Mn  Mn5  1  0.333  0.665  0.416  1.0
  Mn  Mn6  1  0.333  0.665  0.919  1.0
  O  O7  1  0.163  0.325  0.116  1.0
  O  O8  1  0.625  0.250  0.167  1.0
  O  O9  1  0.559  0.675  0.163  1.0
  O  O10  1  0.116  0.675  0.163  1.0
  O  O11  1  0.625  0.250  0.583  1.0
  O  O12  1  0.163  0.325  0.559  1.0
  O  O13  1  0.583  0.750  0.625  1.0
  O  O14  1  0.167  0.750  0.625  1.0
[/CIF]
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The compound described by Na2MgMn4O8 crystallizes in the tetragonal I-4m2 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to four equivalent O(1) 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 eight equivalent Mn(1)O5 trigonal bipyramids. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(2) atoms. Mn(1) is bonded to two equivalent O(2) and three equivalent O(1) atoms to form distorted MnO5 trigonal bipyramids that share corners with two equivalent Na(2)O4 tetrahedra and edges with four equivalent Mn(1)O5 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Na(1) and three equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a see-saw-like geometry to one Na(2), one Mg(1), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Na2MgMn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.880
_cell_length_b   7.588
_cell_length_c   5.880
_cell_angle_alpha   67.205
_cell_angle_beta   90.000
_cell_angle_gamma   112.795
_symmetry_Int_Tables_number   1
_cell_volume   219.459
_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  0.000  0.000  0.000  1.0
  Na  Na1  1  0.750  0.500  0.750  1.0
  Mg  Mg2  1  0.500  0.000  0.500  1.0
  Mn  Mn3  1  0.416  0.335  0.333  1.0
  Mn  Mn4  1  0.919  0.335  0.333  1.0
  Mn  Mn5  1  0.333  0.665  0.416  1.0
  Mn  Mn6  1  0.333  0.665  0.919  1.0
  O  O7  1  0.163  0.325  0.116  1.0
  O  O8  1  0.625  0.250  0.167  1.0
  O  O9  1  0.559  0.675  0.163  1.0
  O  O10  1  0.116  0.675  0.163  1.0
  O  O11  1  0.625  0.250  0.583  1.0
  O  O12  1  0.163  0.325  0.559  1.0
  O  O13  1  0.583  0.750  0.625  1.0
  O  O14  1  0.167  0.750  0.625  1.0
[/CIF]
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