The compound described by Na4MgTi2(SiO5)2 crystallizes in the tetragonal P4mm space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms. Mg(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(4) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(3) atoms. In the second Ti site, Ti(2) is bonded in a distorted single-bond geometry to one O(2) and four equivalent O(4) atoms. Si(1) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent Na(1) and one Ti(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Na(1), one Mg(1), and one Ti(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Ti(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Mg(1), one Ti(2), and one Si(1) atom. is represented by the CIF card [CIF]
data_Na4MgTi2(SiO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.818
_cell_length_b   6.455
_cell_length_c   6.455
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   242.428
_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  0.483  0.023  0.477  1.0
  Na  Na1  1  0.483  0.023  0.023  1.0
  Na  Na2  1  0.483  0.477  0.477  1.0
  Na  Na3  1  0.483  0.477  0.023  1.0
  Mg  Mg4  1  0.683  0.750  0.750  1.0
  Ti  Ti5  1  0.023  0.250  0.250  1.0
  Ti  Ti6  1  0.070  0.750  0.750  1.0
  Si  Si7  1  0.976  0.750  0.250  1.0
  Si  Si8  1  0.976  0.250  0.750  1.0
  O  O9  1  0.719  0.250  0.250  1.0
  O  O10  1  0.375  0.750  0.750  1.0
  O  O11  1  0.148  0.250  0.543  1.0
  O  O12  1  0.148  0.250  0.957  1.0
  O  O13  1  0.148  0.543  0.250  1.0
  O  O14  1  0.148  0.957  0.250  1.0
  O  O15  1  0.812  0.041  0.750  1.0
  O  O16  1  0.812  0.750  0.041  1.0
  O  O17  1  0.812  0.459  0.750  1.0
  O  O18  1  0.812  0.750  0.459  1.0
[/CIF]
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The compound described by Na4MgTi2(SiO5)2 crystallizes in the tetragonal P4mm space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms. Mg(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(4) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(3) atoms. In the second Ti site, Ti(2) is bonded in a distorted single-bond geometry to one O(2) and four equivalent O(4) atoms. Si(1) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent Na(1) and one Ti(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Na(1), one Mg(1), and one Ti(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Ti(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Mg(1), one Ti(2), and one Si(1) atom. is represented by the CIF card [CIF]
data_Na4MgTi2(SiO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.818
_cell_length_b   6.455
_cell_length_c   6.455
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   242.428
_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  0.483  0.023  0.477  1.0
  Na  Na1  1  0.483  0.023  0.023  1.0
  Na  Na2  1  0.483  0.477  0.477  1.0
  Na  Na3  1  0.483  0.477  0.023  1.0
  Mg  Mg4  1  0.683  0.750  0.750  1.0
  Ti  Ti5  1  0.023  0.250  0.250  1.0
  Ti  Ti6  1  0.070  0.750  0.750  1.0
  Si  Si7  1  0.976  0.750  0.250  1.0
  Si  Si8  1  0.976  0.250  0.750  1.0
  O  O9  1  0.719  0.250  0.250  1.0
  O  O10  1  0.375  0.750  0.750  1.0
  O  O11  1  0.148  0.250  0.543  1.0
  O  O12  1  0.148  0.250  0.957  1.0
  O  O13  1  0.148  0.543  0.250  1.0
  O  O14  1  0.148  0.957  0.250  1.0
  O  O15  1  0.812  0.041  0.750  1.0
  O  O16  1  0.812  0.750  0.041  1.0
  O  O17  1  0.812  0.459  0.750  1.0
  O  O18  1  0.812  0.750  0.459  1.0
[/CIF]
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