The structure 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(1) atoms to form corner-sharing MgO4 tetrahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2) and two equivalent O(3) atoms. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Na(1), two equivalent Mg(1), and one Mn(2) atom. 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(3)Na3Mn2 square pyramids and edges with two equivalent O(2)Na2MgMn3 octahedra. In the third O site, O(3) is bonded to one Na(2), two equivalent Na(1), and two equivalent Mn(1) atoms to form distorted ONa3Mn2 square pyramids that share corners with four equivalent O(2)Na2MgMn3 octahedra and edges with two equivalent O(3)Na3Mn2 square pyramids. The corner-sharing octahedral tilt angles range from 65-80°. 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 Crystallographic Information File (CIF) [CIF]
data_Na2MgMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.211
_cell_length_b   5.464
_cell_length_c   6.958
_cell_angle_alpha   88.607
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   122.051
_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  0.318  0.072  1.0
  Na  Na1  1  0.750  0.832  0.875  1.0
  Mg  Mg2  1  0.250  0.000  0.381  1.0
  Mn  Mn3  1  0.250  0.366  0.676  1.0
  Mn  Mn4  1  0.750  0.604  0.346  1.0
  O  O5  1  0.750  0.220  0.375  1.0
  O  O6  1  0.250  0.718  0.567  1.0
  O  O7  1  0.750  0.276  0.841  1.0
  O  O8  1  0.250  0.749  0.168  1.0
[/CIF]
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The structure 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(1) atoms to form corner-sharing MgO4 tetrahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2) and two equivalent O(3) atoms. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Na(1), two equivalent Mg(1), and one Mn(2) atom. 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(3)Na3Mn2 square pyramids and edges with two equivalent O(2)Na2MgMn3 octahedra. In the third O site, O(3) is bonded to one Na(2), two equivalent Na(1), and two equivalent Mn(1) atoms to form distorted ONa3Mn2 square pyramids that share corners with four equivalent O(2)Na2MgMn3 octahedra and edges with two equivalent O(3)Na3Mn2 square pyramids. The corner-sharing octahedral tilt angles range from 65-80°. 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 Crystallographic Information File (CIF) [CIF]
data_Na2MgMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.211
_cell_length_b   5.464
_cell_length_c   6.958
_cell_angle_alpha   88.607
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   122.051
_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  0.318  0.072  1.0
  Na  Na1  1  0.750  0.832  0.875  1.0
  Mg  Mg2  1  0.250  0.000  0.381  1.0
  Mn  Mn3  1  0.250  0.366  0.676  1.0
  Mn  Mn4  1  0.750  0.604  0.346  1.0
  O  O5  1  0.750  0.220  0.375  1.0
  O  O6  1  0.250  0.718  0.567  1.0
  O  O7  1  0.750  0.276  0.841  1.0
  O  O8  1  0.250  0.749  0.168  1.0
[/CIF]
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