The material described by Na8MgTi2O8 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(4) atom. In the second Na site, Na(2) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(3) atoms. In the third Na site, Na(3) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(4) atoms. Mg(1) is bonded in an L-shaped geometry to two equivalent O(3) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(3) atoms. In the second Ti site, Ti(2) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), two equivalent Na(1), and one Ti(2) atom to form distorted corner-sharing ONa3Ti trigonal pyramids. In the second O site, O(2) is bonded to one Na(3), two equivalent Na(1), and one Ti(1) atom to form corner-sharing ONa3Ti tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Na(2), one Mg(1), and one Ti(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(3), and one Ti(2) atom. is represented by the CIF file [CIF]
data_Na8MgTi2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.955
_cell_length_b   6.955
_cell_length_c   6.639
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   79.095
_symmetry_Int_Tables_number   1
_cell_volume   315.332
_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  0.243  0.865  0.482  1.0
  Na  Na1  1  0.243  0.865  0.018  1.0
  Na  Na2  1  0.620  0.924  0.250  1.0
  Na  Na3  1  0.160  0.457  0.750  1.0
  Na  Na4  1  0.457  0.160  0.750  1.0
  Na  Na5  1  0.924  0.620  0.250  1.0
  Na  Na6  1  0.865  0.243  0.018  1.0
  Na  Na7  1  0.865  0.243  0.482  1.0
  Mg  Mg8  1  0.867  0.867  0.750  1.0
  Ti  Ti9  1  0.612  0.612  0.750  1.0
  Ti  Ti10  1  0.340  0.340  0.250  1.0
  O  O11  1  0.250  0.609  0.250  1.0
  O  O12  1  0.351  0.689  0.750  1.0
  O  O13  1  0.730  0.730  0.963  1.0
  O  O14  1  0.232  0.232  0.472  1.0
  O  O15  1  0.232  0.232  0.028  1.0
  O  O16  1  0.730  0.730  0.537  1.0
  O  O17  1  0.689  0.351  0.750  1.0
  O  O18  1  0.609  0.250  0.250  1.0
[/CIF]
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The material described by Na8MgTi2O8 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(4) atom. In the second Na site, Na(2) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(3) atoms. In the third Na site, Na(3) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(4) atoms. Mg(1) is bonded in an L-shaped geometry to two equivalent O(3) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(3) atoms. In the second Ti site, Ti(2) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), two equivalent Na(1), and one Ti(2) atom to form distorted corner-sharing ONa3Ti trigonal pyramids. In the second O site, O(2) is bonded to one Na(3), two equivalent Na(1), and one Ti(1) atom to form corner-sharing ONa3Ti tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Na(2), one Mg(1), and one Ti(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(3), and one Ti(2) atom. is represented by the CIF file [CIF]
data_Na8MgTi2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.955
_cell_length_b   6.955
_cell_length_c   6.639
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   79.095
_symmetry_Int_Tables_number   1
_cell_volume   315.332
_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  0.243  0.865  0.482  1.0
  Na  Na1  1  0.243  0.865  0.018  1.0
  Na  Na2  1  0.620  0.924  0.250  1.0
  Na  Na3  1  0.160  0.457  0.750  1.0
  Na  Na4  1  0.457  0.160  0.750  1.0
  Na  Na5  1  0.924  0.620  0.250  1.0
  Na  Na6  1  0.865  0.243  0.018  1.0
  Na  Na7  1  0.865  0.243  0.482  1.0
  Mg  Mg8  1  0.867  0.867  0.750  1.0
  Ti  Ti9  1  0.612  0.612  0.750  1.0
  Ti  Ti10  1  0.340  0.340  0.250  1.0
  O  O11  1  0.250  0.609  0.250  1.0
  O  O12  1  0.351  0.689  0.750  1.0
  O  O13  1  0.730  0.730  0.963  1.0
  O  O14  1  0.232  0.232  0.472  1.0
  O  O15  1  0.232  0.232  0.028  1.0
  O  O16  1  0.730  0.730  0.537  1.0
  O  O17  1  0.689  0.351  0.750  1.0
  O  O18  1  0.609  0.250  0.250  1.0
[/CIF]
.