The material described by Na2MgMn2O4 crystallizes in the monoclinic Pm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(2), and two equivalent O(4) atoms. Mg(1) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form MgO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra and corners with four equivalent Mn(2)O5 trigonal bipyramids. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. In the second Mn site, Mn(2) is bonded to one O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted MnO5 trigonal bipyramids that share corners with four equivalent Mg(1)O4 tetrahedra and edges with two equivalent Mn(2)O5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), one Mn(2), and two equivalent Mn(1) atoms to form distorted ONa2Mn3 trigonal bipyramids that share corners with four equivalent O(2)Na2MgMn3 octahedra and edges with two equivalent O(1)Na2Mn3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 67-77°. In the second O site, O(2) is bonded to two equivalent Na(2), one Mg(1), one Mn(1), and two equivalent Mn(2) atoms to form distorted ONa2MgMn3 octahedra that share corners with four equivalent O(1)Na2Mn3 trigonal bipyramids and edges with two equivalent O(2)Na2MgMn3 octahedra. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Na(2), two equivalent Na(1), two equivalent Mg(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Na(1), two equivalent Na(2), one Mg(1), and two equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_Na2MgMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.171
_cell_length_b   5.561
_cell_length_c   6.360
_cell_angle_alpha   89.918
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   112.146
_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  0.250  0.194  0.155  1.0
  Na  Na1  1  0.750  0.914  0.904  1.0
  Mg  Mg2  1  0.250  0.536  0.864  1.0
  Mn  Mn3  1  0.250  0.161  0.581  1.0
  Mn  Mn4  1  0.750  0.668  0.372  1.0
  O  O5  1  0.750  0.279  0.396  1.0
  O  O6  1  0.250  0.782  0.629  1.0
  O  O7  1  0.750  0.313  0.855  1.0
  O  O8  1  0.250  0.737  0.131  1.0
[/CIF]
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The material described by Na2MgMn2O4 crystallizes in the monoclinic Pm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(2), and two equivalent O(4) atoms. Mg(1) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form MgO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra and corners with four equivalent Mn(2)O5 trigonal bipyramids. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. In the second Mn site, Mn(2) is bonded to one O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted MnO5 trigonal bipyramids that share corners with four equivalent Mg(1)O4 tetrahedra and edges with two equivalent Mn(2)O5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), one Mn(2), and two equivalent Mn(1) atoms to form distorted ONa2Mn3 trigonal bipyramids that share corners with four equivalent O(2)Na2MgMn3 octahedra and edges with two equivalent O(1)Na2Mn3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 67-77°. In the second O site, O(2) is bonded to two equivalent Na(2), one Mg(1), one Mn(1), and two equivalent Mn(2) atoms to form distorted ONa2MgMn3 octahedra that share corners with four equivalent O(1)Na2Mn3 trigonal bipyramids and edges with two equivalent O(2)Na2MgMn3 octahedra. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Na(2), two equivalent Na(1), two equivalent Mg(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Na(1), two equivalent Na(2), one Mg(1), and two equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_Na2MgMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.171
_cell_length_b   5.561
_cell_length_c   6.360
_cell_angle_alpha   89.918
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   112.146
_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  0.250  0.194  0.155  1.0
  Na  Na1  1  0.750  0.914  0.904  1.0
  Mg  Mg2  1  0.250  0.536  0.864  1.0
  Mn  Mn3  1  0.250  0.161  0.581  1.0
  Mn  Mn4  1  0.750  0.668  0.372  1.0
  O  O5  1  0.750  0.279  0.396  1.0
  O  O6  1  0.250  0.782  0.629  1.0
  O  O7  1  0.750  0.313  0.855  1.0
  O  O8  1  0.250  0.737  0.131  1.0
[/CIF]
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