The material described by Na8MgTi2O8 crystallizes in the monoclinic C2/m space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a distorted water-like geometry to two equivalent O(2) atoms. In the third Na site, Na(3) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Ti(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), two equivalent Na(3), one Mg(1), and one Ti(1) atom to form a mixture of distorted corner and edge-sharing ONa3MgTi square pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Na(2), two equivalent Na(3), and one Ti(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(3), and one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na8MgTi2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.324
_cell_length_b   7.324
_cell_length_c   6.167
_cell_angle_alpha   100.205
_cell_angle_beta   100.205
_cell_angle_gamma   79.769
_symmetry_Int_Tables_number   1
_cell_volume   316.753
_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  0.169  0.831  0.500  1.0
  Na  Na1  1  0.149  0.851  0.000  1.0
  Na  Na2  1  0.594  0.894  0.269  1.0
  Na  Na3  1  0.106  0.406  0.731  1.0
  Na  Na4  1  0.406  0.106  0.731  1.0
  Na  Na5  1  0.894  0.594  0.269  1.0
  Na  Na6  1  0.851  0.149  0.000  1.0
  Na  Na7  1  0.831  0.169  0.500  1.0
  Mg  Mg8  1  0.500  0.500  0.500  1.0
  Ti  Ti9  1  0.747  0.747  0.731  1.0
  Ti  Ti10  1  0.253  0.253  0.269  1.0
  O  O11  1  0.212  0.506  0.389  1.0
  O  O12  1  0.494  0.788  0.611  1.0
  O  O13  1  0.827  0.827  0.029  1.0
  O  O14  1  0.132  0.132  0.417  1.0
  O  O15  1  0.173  0.173  0.971  1.0
  O  O16  1  0.868  0.868  0.583  1.0
  O  O17  1  0.788  0.494  0.611  1.0
  O  O18  1  0.506  0.212  0.389  1.0
[/CIF]
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The material described by Na8MgTi2O8 crystallizes in the monoclinic C2/m space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a distorted water-like geometry to two equivalent O(2) atoms. In the third Na site, Na(3) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. Mg(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. Ti(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), two equivalent Na(3), one Mg(1), and one Ti(1) atom to form a mixture of distorted corner and edge-sharing ONa3MgTi square pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Na(2), two equivalent Na(3), and one Ti(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(3), and one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na8MgTi2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.324
_cell_length_b   7.324
_cell_length_c   6.167
_cell_angle_alpha   100.205
_cell_angle_beta   100.205
_cell_angle_gamma   79.769
_symmetry_Int_Tables_number   1
_cell_volume   316.753
_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  0.169  0.831  0.500  1.0
  Na  Na1  1  0.149  0.851  0.000  1.0
  Na  Na2  1  0.594  0.894  0.269  1.0
  Na  Na3  1  0.106  0.406  0.731  1.0
  Na  Na4  1  0.406  0.106  0.731  1.0
  Na  Na5  1  0.894  0.594  0.269  1.0
  Na  Na6  1  0.851  0.149  0.000  1.0
  Na  Na7  1  0.831  0.169  0.500  1.0
  Mg  Mg8  1  0.500  0.500  0.500  1.0
  Ti  Ti9  1  0.747  0.747  0.731  1.0
  Ti  Ti10  1  0.253  0.253  0.269  1.0
  O  O11  1  0.212  0.506  0.389  1.0
  O  O12  1  0.494  0.788  0.611  1.0
  O  O13  1  0.827  0.827  0.029  1.0
  O  O14  1  0.132  0.132  0.417  1.0
  O  O15  1  0.173  0.173  0.971  1.0
  O  O16  1  0.868  0.868  0.583  1.0
  O  O17  1  0.788  0.494  0.611  1.0
  O  O18  1  0.506  0.212  0.389  1.0
[/CIF]
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