The structure described by Na2MgTiO3 crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a distorted pentagonal planar geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(1), two equivalent Na(2), one Mg(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to one Na(1), one Na(2), two equivalent Mg(1), and two equivalent Ti(1) atoms to form ONa2Mg2Ti2 octahedra that share edges with two equivalent O(2)Na2Mg2Ti2 octahedra and edges with four equivalent O(3)Na4MgTi octahedra. In the third O site, O(3) is bonded to two equivalent Na(1), two equivalent Na(2), one Mg(1), and one Ti(1) atom to form ONa4MgTi octahedra that share edges with two equivalent O(3)Na4MgTi octahedra and edges with four equivalent O(2)Na2Mg2Ti2 octahedra. is represented by the CIF card [CIF]
data_Na2MgTiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.000
_cell_length_b   5.623
_cell_length_c   6.721
_cell_angle_alpha   122.914
_cell_angle_beta   102.818
_cell_angle_gamma   89.954
_symmetry_Int_Tables_number   1
_cell_volume   91.813
_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  0.580  0.526  0.159  1.0
  Na  Na1  1  0.296  0.485  0.586  1.0
  Mg  Mg2  1  0.840  0.067  0.676  1.0
  Ti  Ti3  1  0.037  0.928  0.072  1.0
  O  O4  1  0.663  0.046  0.326  1.0
  O  O5  1  0.451  0.027  0.899  1.0
  O  O6  1  0.945  0.532  0.886  1.0
[/CIF]
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The structure described by Na2MgTiO3 crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a distorted pentagonal planar geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(1), two equivalent Na(2), one Mg(1), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to one Na(1), one Na(2), two equivalent Mg(1), and two equivalent Ti(1) atoms to form ONa2Mg2Ti2 octahedra that share edges with two equivalent O(2)Na2Mg2Ti2 octahedra and edges with four equivalent O(3)Na4MgTi octahedra. In the third O site, O(3) is bonded to two equivalent Na(1), two equivalent Na(2), one Mg(1), and one Ti(1) atom to form ONa4MgTi octahedra that share edges with two equivalent O(3)Na4MgTi octahedra and edges with four equivalent O(2)Na2Mg2Ti2 octahedra. is represented by the CIF card [CIF]
data_Na2MgTiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.000
_cell_length_b   5.623
_cell_length_c   6.721
_cell_angle_alpha   122.914
_cell_angle_beta   102.818
_cell_angle_gamma   89.954
_symmetry_Int_Tables_number   1
_cell_volume   91.813
_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  0.580  0.526  0.159  1.0
  Na  Na1  1  0.296  0.485  0.586  1.0
  Mg  Mg2  1  0.840  0.067  0.676  1.0
  Ti  Ti3  1  0.037  0.928  0.072  1.0
  O  O4  1  0.663  0.046  0.326  1.0
  O  O5  1  0.451  0.027  0.899  1.0
  O  O6  1  0.945  0.532  0.886  1.0
[/CIF]
.