The crystal structure described by Na3LaTiSi2SO12 crystallizes in the monoclinic Cc 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(11), and one O(9) atom. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(2), one O(4), one O(6), one O(7), and one O(8) atom. In the third Na site, Na(3) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(12), one O(8), and one O(9) atom. La(1) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form LaO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent S(1)O4 tetrahedra. Ti(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(10), one O(6), and one O(9) atom to form SiO4 tetrahedra that share corners with two equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-41°. In the second Si site, Si(2) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-37°. S(1) is bonded to one O(12), one O(3), one O(4), and one O(7) atom to form SO4 tetrahedra that share corners with two equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-37°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one La(1), and one Si(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one La(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Na(2), one Ti(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Na(2), one Ti(1), and one Si(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(2), one La(1), and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(3), one La(1), and one Si(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one La(1), and one Si(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Ti(1), and one Si(1) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(3), one Ti(1), and one Si(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Ti(1), and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3LaTiSi2SO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.188
_cell_length_b   9.541
_cell_length_c   9.188
_cell_angle_alpha   61.252
_cell_angle_beta   63.190
_cell_angle_gamma   61.252
_symmetry_Int_Tables_number   1
_cell_volume   593.239
_cell_formula_units_Z   2
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
  La  La0  1  0.359  0.356  0.329  1.0
  La  La1  1  0.829  0.856  0.859  1.0
  Na  Na2  1  0.878  0.601  0.247  1.0
  Na  Na3  1  0.245  0.887  0.616  1.0
  Na  Na4  1  0.747  0.101  0.378  1.0
  Na  Na5  1  0.116  0.387  0.745  1.0
  Na  Na6  1  0.492  0.534  0.478  1.0
  Na  Na7  1  0.978  0.034  0.992  1.0
  O  O8  1  0.537  0.088  0.322  1.0
  O  O9  1  0.107  0.306  0.523  1.0
  O  O10  1  0.306  0.529  0.066  1.0
  O  O11  1  0.023  0.806  0.607  1.0
  O  O12  1  0.822  0.588  0.037  1.0
  O  O13  1  0.566  0.029  0.806  1.0
  O  O14  1  0.452  0.907  0.718  1.0
  O  O15  1  0.870  0.713  0.495  1.0
  O  O16  1  0.743  0.508  0.846  1.0
  O  O17  1  0.995  0.213  0.370  1.0
  O  O18  1  0.218  0.407  0.952  1.0
  O  O19  1  0.346  0.008  0.243  1.0
  O  O20  1  0.390  0.216  0.623  1.0
  O  O21  1  0.226  0.597  0.426  1.0
  O  O22  1  0.631  0.389  0.218  1.0
  O  O23  1  0.926  0.097  0.726  1.0
  O  O24  1  0.123  0.716  0.890  1.0
  O  O25  1  0.718  0.889  0.131  1.0
  O  O26  1  0.551  0.763  0.461  1.0
  O  O27  1  0.778  0.436  0.547  1.0
  O  O28  1  0.421  0.562  0.761  1.0
  O  O29  1  0.047  0.936  0.278  1.0
  O  O30  1  0.961  0.263  0.051  1.0
  O  O31  1  0.261  0.062  0.921  1.0
  S  S32  1  0.268  0.548  0.916  1.0
  S  S33  1  0.416  0.048  0.768  1.0
  Si  Si34  1  0.542  0.939  0.282  1.0
  Si  Si35  1  0.952  0.254  0.551  1.0
  Si  Si36  1  0.051  0.754  0.452  1.0
  Si  Si37  1  0.782  0.439  0.042  1.0
  Ti  Ti38  1  0.695  0.617  0.627  1.0
  Ti  Ti39  1  0.127  0.117  0.195  1.0
[/CIF]
.
The crystal structure described by Na3LaTiSi2SO12 crystallizes in the monoclinic Cc 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(11), and one O(9) atom. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(2), one O(4), one O(6), one O(7), and one O(8) atom. In the third Na site, Na(3) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(12), one O(8), and one O(9) atom. La(1) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form LaO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent S(1)O4 tetrahedra. Ti(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(10), one O(6), and one O(9) atom to form SiO4 tetrahedra that share corners with two equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-41°. In the second Si site, Si(2) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-37°. S(1) is bonded to one O(12), one O(3), one O(4), and one O(7) atom to form SO4 tetrahedra that share corners with two equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-37°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one La(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one La(1), and one Si(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one La(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Na(2), one Ti(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Na(2), one Ti(1), and one Si(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(2), one La(1), and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(3), one La(1), and one Si(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one La(1), and one Si(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Ti(1), and one Si(1) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(3), one Ti(1), and one Si(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Ti(1), and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3LaTiSi2SO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.188
_cell_length_b   9.541
_cell_length_c   9.188
_cell_angle_alpha   61.252
_cell_angle_beta   63.190
_cell_angle_gamma   61.252
_symmetry_Int_Tables_number   1
_cell_volume   593.239
_cell_formula_units_Z   2
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
  La  La0  1  0.359  0.356  0.329  1.0
  La  La1  1  0.829  0.856  0.859  1.0
  Na  Na2  1  0.878  0.601  0.247  1.0
  Na  Na3  1  0.245  0.887  0.616  1.0
  Na  Na4  1  0.747  0.101  0.378  1.0
  Na  Na5  1  0.116  0.387  0.745  1.0
  Na  Na6  1  0.492  0.534  0.478  1.0
  Na  Na7  1  0.978  0.034  0.992  1.0
  O  O8  1  0.537  0.088  0.322  1.0
  O  O9  1  0.107  0.306  0.523  1.0
  O  O10  1  0.306  0.529  0.066  1.0
  O  O11  1  0.023  0.806  0.607  1.0
  O  O12  1  0.822  0.588  0.037  1.0
  O  O13  1  0.566  0.029  0.806  1.0
  O  O14  1  0.452  0.907  0.718  1.0
  O  O15  1  0.870  0.713  0.495  1.0
  O  O16  1  0.743  0.508  0.846  1.0
  O  O17  1  0.995  0.213  0.370  1.0
  O  O18  1  0.218  0.407  0.952  1.0
  O  O19  1  0.346  0.008  0.243  1.0
  O  O20  1  0.390  0.216  0.623  1.0
  O  O21  1  0.226  0.597  0.426  1.0
  O  O22  1  0.631  0.389  0.218  1.0
  O  O23  1  0.926  0.097  0.726  1.0
  O  O24  1  0.123  0.716  0.890  1.0
  O  O25  1  0.718  0.889  0.131  1.0
  O  O26  1  0.551  0.763  0.461  1.0
  O  O27  1  0.778  0.436  0.547  1.0
  O  O28  1  0.421  0.562  0.761  1.0
  O  O29  1  0.047  0.936  0.278  1.0
  O  O30  1  0.961  0.263  0.051  1.0
  O  O31  1  0.261  0.062  0.921  1.0
  S  S32  1  0.268  0.548  0.916  1.0
  S  S33  1  0.416  0.048  0.768  1.0
  Si  Si34  1  0.542  0.939  0.282  1.0
  Si  Si35  1  0.952  0.254  0.551  1.0
  Si  Si36  1  0.051  0.754  0.452  1.0
  Si  Si37  1  0.782  0.439  0.042  1.0
  Ti  Ti38  1  0.695  0.617  0.627  1.0
  Ti  Ti39  1  0.127  0.117  0.195  1.0
[/CIF]
.