The material described by Na8MgTi2O8 is Chalcostibite-derived structured and 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(3) atom. In the second Na site, Na(2) is bonded in a distorted trigonal non-coplanar geometry to one O(1) and two equivalent O(3) atoms. In the third Na site, Na(3) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(4) atoms. Mg(1) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form distorted MgO4 tetrahedra that share corners with two equivalent Ti(2)O4 tetrahedra and  an edgeedge with one Ti(1)O4 tetrahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form TiO4 tetrahedra that share  an edgeedge with one Mg(1)O4 tetrahedra. In the second Ti site, Ti(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form TiO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra. 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 ONa3Ti tetrahedra that share  a cornercorner with one O(1)Na3Ti tetrahedra and corners with two equivalent O(2)Na3MgTi trigonal bipyramids. In the second O site, O(2) is bonded to one Na(3), two equivalent Na(1), one Mg(1), and one Ti(1) atom to form distorted ONa3MgTi trigonal bipyramids that share corners with two equivalent O(1)Na3Ti tetrahedra and  an edgeedge with one O(2)Na3MgTi trigonal bipyramid. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and one Ti(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Na(3), one Mg(1), 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   7.191
_cell_length_b   7.191
_cell_length_c   6.447
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   77.599
_symmetry_Int_Tables_number   1
_cell_volume   325.606
_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  0.125  0.775  0.508  1.0
  Na  Na1  1  0.125  0.775  0.992  1.0
  Na  Na2  1  0.531  0.840  0.250  1.0
  Na  Na3  1  0.050  0.344  0.750  1.0
  Na  Na4  1  0.344  0.050  0.750  1.0
  Na  Na5  1  0.840  0.531  0.250  1.0
  Na  Na6  1  0.775  0.125  0.992  1.0
  Na  Na7  1  0.775  0.125  0.508  1.0
  Mg  Mg8  1  0.437  0.437  0.750  1.0
  Ti  Ti9  1  0.682  0.682  0.750  1.0
  Ti  Ti10  1  0.395  0.395  0.250  1.0
  O  O11  1  0.320  0.650  0.250  1.0
  O  O12  1  0.415  0.725  0.750  1.0
  O  O13  1  0.775  0.775  0.984  1.0
  O  O14  1  0.319  0.319  0.516  1.0
  O  O15  1  0.319  0.319  0.984  1.0
  O  O16  1  0.775  0.775  0.516  1.0
  O  O17  1  0.725  0.415  0.750  1.0
  O  O18  1  0.650  0.320  0.250  1.0
[/CIF]
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The material described by Na8MgTi2O8 is Chalcostibite-derived structured and 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(3) atom. In the second Na site, Na(2) is bonded in a distorted trigonal non-coplanar geometry to one O(1) and two equivalent O(3) atoms. In the third Na site, Na(3) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(4) atoms. Mg(1) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form distorted MgO4 tetrahedra that share corners with two equivalent Ti(2)O4 tetrahedra and  an edgeedge with one Ti(1)O4 tetrahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form TiO4 tetrahedra that share  an edgeedge with one Mg(1)O4 tetrahedra. In the second Ti site, Ti(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form TiO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra. 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 ONa3Ti tetrahedra that share  a cornercorner with one O(1)Na3Ti tetrahedra and corners with two equivalent O(2)Na3MgTi trigonal bipyramids. In the second O site, O(2) is bonded to one Na(3), two equivalent Na(1), one Mg(1), and one Ti(1) atom to form distorted ONa3MgTi trigonal bipyramids that share corners with two equivalent O(1)Na3Ti tetrahedra and  an edgeedge with one O(2)Na3MgTi trigonal bipyramid. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and one Ti(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Na(3), one Mg(1), 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   7.191
_cell_length_b   7.191
_cell_length_c   6.447
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   77.599
_symmetry_Int_Tables_number   1
_cell_volume   325.606
_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  0.125  0.775  0.508  1.0
  Na  Na1  1  0.125  0.775  0.992  1.0
  Na  Na2  1  0.531  0.840  0.250  1.0
  Na  Na3  1  0.050  0.344  0.750  1.0
  Na  Na4  1  0.344  0.050  0.750  1.0
  Na  Na5  1  0.840  0.531  0.250  1.0
  Na  Na6  1  0.775  0.125  0.992  1.0
  Na  Na7  1  0.775  0.125  0.508  1.0
  Mg  Mg8  1  0.437  0.437  0.750  1.0
  Ti  Ti9  1  0.682  0.682  0.750  1.0
  Ti  Ti10  1  0.395  0.395  0.250  1.0
  O  O11  1  0.320  0.650  0.250  1.0
  O  O12  1  0.415  0.725  0.750  1.0
  O  O13  1  0.775  0.775  0.984  1.0
  O  O14  1  0.319  0.319  0.516  1.0
  O  O15  1  0.319  0.319  0.984  1.0
  O  O16  1  0.775  0.775  0.516  1.0
  O  O17  1  0.725  0.415  0.750  1.0
  O  O18  1  0.650  0.320  0.250  1.0
[/CIF]
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