The material described by NaMgMn2O4 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. Na(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NaO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Na(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Na(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Na(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), two equivalent Mg(1), one Mn(2), and two equivalent Mn(1) atoms to form ONaMg2Mn3 octahedra that share corners with six equivalent O(1)NaMg2Mn3 octahedra, edges with four equivalent O(1)NaMg2Mn3 octahedra, and edges with eight equivalent O(2)Na2MgMn3 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to two equivalent Na(1), one Mg(1), one Mn(1), and two equivalent Mn(2) atoms to form ONa2MgMn3 octahedra that share corners with six equivalent O(2)Na2MgMn3 octahedra, edges with four equivalent O(2)Na2MgMn3 octahedra, and edges with eight equivalent O(1)NaMg2Mn3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_NaMgMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.152
_cell_length_b   5.418
_cell_length_c   5.307
_cell_angle_alpha   107.305
_cell_angle_beta   92.428
_cell_angle_gamma   91.868
_symmetry_Int_Tables_number   1
_cell_volume   86.356
_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  0.500  1.000  0.500  1.0
  Mg  Mg1  1  1.000  0.500  0.500  1.0
  Mn  Mn2  1  1.000  1.000  1.000  1.0
  Mn  Mn3  1  0.500  0.500  1.000  1.0
  O  O4  1  0.501  0.722  0.759  1.0
  O  O5  1  0.044  0.279  0.769  1.0
  O  O6  1  0.956  0.721  0.231  1.0
  O  O7  1  0.499  0.278  0.241  1.0
[/CIF]
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The material described by NaMgMn2O4 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. Na(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NaO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Na(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Na(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Na(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), two equivalent Mg(1), one Mn(2), and two equivalent Mn(1) atoms to form ONaMg2Mn3 octahedra that share corners with six equivalent O(1)NaMg2Mn3 octahedra, edges with four equivalent O(1)NaMg2Mn3 octahedra, and edges with eight equivalent O(2)Na2MgMn3 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to two equivalent Na(1), one Mg(1), one Mn(1), and two equivalent Mn(2) atoms to form ONa2MgMn3 octahedra that share corners with six equivalent O(2)Na2MgMn3 octahedra, edges with four equivalent O(2)Na2MgMn3 octahedra, and edges with eight equivalent O(1)NaMg2Mn3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_NaMgMn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.152
_cell_length_b   5.418
_cell_length_c   5.307
_cell_angle_alpha   107.305
_cell_angle_beta   92.428
_cell_angle_gamma   91.868
_symmetry_Int_Tables_number   1
_cell_volume   86.356
_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  0.500  1.000  0.500  1.0
  Mg  Mg1  1  1.000  0.500  0.500  1.0
  Mn  Mn2  1  1.000  1.000  1.000  1.0
  Mn  Mn3  1  0.500  0.500  1.000  1.0
  O  O4  1  0.501  0.722  0.759  1.0
  O  O5  1  0.044  0.279  0.769  1.0
  O  O6  1  0.956  0.721  0.231  1.0
  O  O7  1  0.499  0.278  0.241  1.0
[/CIF]
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