The crystal structure described by Na2MgTi2O5 crystallizes in the monoclinic C2/m space group. Na(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. Mg(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. Ti(1) is bonded to one O(1), one O(3), and three equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing TiO5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Mg(1), and one Ti(1) atom. In the second O site, O(2) is bonded to one Na(1) and three equivalent Ti(1) atoms to form distorted ONaTi3 tetrahedra that share  a cornercorner with one O(3)Na4Ti2 octahedra, corners with two equivalent O(2)NaTi3 tetrahedra, edges with two equivalent O(3)Na4Ti2 octahedra, and edges with two equivalent O(2)NaTi3 tetrahedra. The corner-sharing octahedral tilt angles are 18°. In the third O site, O(3) is bonded to four equivalent Na(1) and two equivalent Ti(1) atoms to form distorted ONa4Ti2 octahedra that share corners with two equivalent O(2)NaTi3 tetrahedra, edges with two equivalent O(3)Na4Ti2 octahedra, and edges with four equivalent O(2)NaTi3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2MgTi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.321
_cell_length_b   6.462
_cell_length_c   8.393
_cell_angle_alpha   60.628
_cell_angle_beta   90.000
_cell_angle_gamma   75.109
_symmetry_Int_Tables_number   1
_cell_volume   149.998
_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  0.641  0.719  0.275  1.0
  Na  Na1  1  0.359  0.281  0.725  1.0
  Mg  Mg2  1  0.500  0.000  0.500  1.0
  Ti  Ti3  1  0.125  0.750  0.931  1.0
  Ti  Ti4  1  0.875  0.250  0.069  1.0
  O  O5  1  0.027  0.946  0.677  1.0
  O  O6  1  0.698  0.603  0.054  1.0
  O  O7  1  0.302  0.397  0.946  1.0
  O  O8  1  0.973  0.054  0.323  1.0
  O  O9  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Na2MgTi2O5 crystallizes in the monoclinic C2/m space group. Na(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. Mg(1) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. Ti(1) is bonded to one O(1), one O(3), and three equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing TiO5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Mg(1), and one Ti(1) atom. In the second O site, O(2) is bonded to one Na(1) and three equivalent Ti(1) atoms to form distorted ONaTi3 tetrahedra that share  a cornercorner with one O(3)Na4Ti2 octahedra, corners with two equivalent O(2)NaTi3 tetrahedra, edges with two equivalent O(3)Na4Ti2 octahedra, and edges with two equivalent O(2)NaTi3 tetrahedra. The corner-sharing octahedral tilt angles are 18°. In the third O site, O(3) is bonded to four equivalent Na(1) and two equivalent Ti(1) atoms to form distorted ONa4Ti2 octahedra that share corners with two equivalent O(2)NaTi3 tetrahedra, edges with two equivalent O(3)Na4Ti2 octahedra, and edges with four equivalent O(2)NaTi3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2MgTi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.321
_cell_length_b   6.462
_cell_length_c   8.393
_cell_angle_alpha   60.628
_cell_angle_beta   90.000
_cell_angle_gamma   75.109
_symmetry_Int_Tables_number   1
_cell_volume   149.998
_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  0.641  0.719  0.275  1.0
  Na  Na1  1  0.359  0.281  0.725  1.0
  Mg  Mg2  1  0.500  0.000  0.500  1.0
  Ti  Ti3  1  0.125  0.750  0.931  1.0
  Ti  Ti4  1  0.875  0.250  0.069  1.0
  O  O5  1  0.027  0.946  0.677  1.0
  O  O6  1  0.698  0.603  0.054  1.0
  O  O7  1  0.302  0.397  0.946  1.0
  O  O8  1  0.973  0.054  0.323  1.0
  O  O9  1  0.000  0.000  0.000  1.0
[/CIF]
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