The compound described by Na4CaSnSi2SO12 crystallizes in the monoclinic Cc space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(5), one O(7), and one O(8) atom. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(12), one O(5), one O(6), one O(7), and one O(9) atom. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(3), one O(8), one O(9), and two equivalent O(4) atoms. In the fourth Na site, Na(4) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom. Ca(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 CaO6 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. Sn(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(4), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-38°. In the second Si site, Si(2) is bonded to one O(12), one O(3), one O(5), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles are 34°. S(1) is bonded to one O(11), one O(2), one O(6), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-33°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(2), one Ca(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Ca(1), and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Na(3), one Ca(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(3), one Sn(1), and one Si(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Sn(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Na(2), one Sn(1), and one S(1) atom. In the seventh O site, O(7) is bonded to one Na(1), one Na(2), one Na(4), one Ca(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing ONa3CaSi trigonal bipyramids. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Na(4), one Ca(1), and one Si(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(4), one Ca(1), and one S(1) atom. In the tenth O site, O(10) is bonded to one Na(1), one Na(3), one Na(4), one Sn(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing ONa3SiSn trigonal bipyramids. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Na(1), one Na(2), one Na(4), one Sn(1), and one S(1) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(4), one Sn(1), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4CaSi2SnSO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.260
_cell_length_b   9.260
_cell_length_c   9.361
_cell_angle_alpha   91.950
_cell_angle_beta   118.842
_cell_angle_gamma   118.552
_symmetry_Int_Tables_number   1
_cell_volume   579.902
_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
  Ca  Ca0  1  0.300  0.349  0.651  1.0
  Ca  Ca1  1  0.303  0.852  0.151  1.0
  Na  Na2  1  0.868  0.634  0.766  1.0
  Na  Na3  1  0.500  0.231  0.108  1.0
  Na  Na4  1  0.148  0.871  0.385  1.0
  Na  Na5  1  0.513  0.737  0.885  1.0
  Na  Na6  1  0.876  0.108  0.608  1.0
  Na  Na7  1  0.131  0.397  0.266  1.0
  Na  Na8  1  0.013  0.502  0.490  1.0
  Na  Na9  1  0.988  0.977  0.990  1.0
  O  O10  1  0.175  0.109  0.708  1.0
  O  O11  1  0.386  0.295  0.481  1.0
  O  O12  1  0.599  0.529  0.884  1.0
  O  O13  1  0.356  0.785  0.384  1.0
  O  O14  1  0.186  0.596  0.981  1.0
  O  O15  1  0.599  0.033  0.208  1.0
  O  O16  1  0.796  0.875  0.265  1.0
  O  O17  1  0.651  0.727  0.516  1.0
  O  O18  1  0.385  0.475  0.114  1.0
  O  O19  1  0.639  0.229  0.614  1.0
  O  O20  1  0.789  0.365  0.016  1.0
  O  O21  1  0.390  0.969  0.765  1.0
  O  O22  1  0.990  0.235  0.406  1.0
  O  O23  1  0.365  0.604  0.590  1.0
  O  O24  1  0.188  0.420  0.796  1.0
  O  O25  1  0.376  0.109  0.296  1.0
  O  O26  1  0.986  0.726  0.090  1.0
  O  O27  1  0.171  0.916  0.906  1.0
  O  O28  1  0.004  0.760  0.567  1.0
  O  O29  1  0.657  0.415  0.441  1.0
  O  O30  1  0.776  0.546  0.225  1.0
  O  O31  1  0.679  0.949  0.725  1.0
  O  O32  1  0.026  0.283  0.941  1.0
  O  O33  1  0.807  0.063  0.067  1.0
  S  S34  1  0.512  0.260  0.458  1.0
  S  S35  1  0.198  0.446  0.958  1.0
  Si  Si36  1  0.186  0.946  0.743  1.0
  Si  Si37  1  0.788  0.548  0.048  1.0
  Si  Si38  1  0.500  0.761  0.548  1.0
  Si  Si39  1  0.796  0.056  0.243  1.0
  Sn  Sn40  1  0.726  0.678  0.358  1.0
  Sn  Sn41  1  0.680  0.132  0.858  1.0
[/CIF]
.
The compound described by Na4CaSnSi2SO12 crystallizes in the monoclinic Cc space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(5), one O(7), and one O(8) atom. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(12), one O(5), one O(6), one O(7), and one O(9) atom. In the third Na site, Na(3) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(3), one O(8), one O(9), and two equivalent O(4) atoms. In the fourth Na site, Na(4) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom. Ca(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 CaO6 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. Sn(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(4), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-38°. In the second Si site, Si(2) is bonded to one O(12), one O(3), one O(5), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles are 34°. S(1) is bonded to one O(11), one O(2), one O(6), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-33°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(2), one Ca(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Ca(1), and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Na(3), one Ca(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(3), one Sn(1), and one Si(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Sn(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Na(2), one Sn(1), and one S(1) atom. In the seventh O site, O(7) is bonded to one Na(1), one Na(2), one Na(4), one Ca(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing ONa3CaSi trigonal bipyramids. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Na(4), one Ca(1), and one Si(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(4), one Ca(1), and one S(1) atom. In the tenth O site, O(10) is bonded to one Na(1), one Na(3), one Na(4), one Sn(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing ONa3SiSn trigonal bipyramids. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Na(1), one Na(2), one Na(4), one Sn(1), and one S(1) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Na(2), one Na(3), one Na(4), one Sn(1), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4CaSi2SnSO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.260
_cell_length_b   9.260
_cell_length_c   9.361
_cell_angle_alpha   91.950
_cell_angle_beta   118.842
_cell_angle_gamma   118.552
_symmetry_Int_Tables_number   1
_cell_volume   579.902
_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
  Ca  Ca0  1  0.300  0.349  0.651  1.0
  Ca  Ca1  1  0.303  0.852  0.151  1.0
  Na  Na2  1  0.868  0.634  0.766  1.0
  Na  Na3  1  0.500  0.231  0.108  1.0
  Na  Na4  1  0.148  0.871  0.385  1.0
  Na  Na5  1  0.513  0.737  0.885  1.0
  Na  Na6  1  0.876  0.108  0.608  1.0
  Na  Na7  1  0.131  0.397  0.266  1.0
  Na  Na8  1  0.013  0.502  0.490  1.0
  Na  Na9  1  0.988  0.977  0.990  1.0
  O  O10  1  0.175  0.109  0.708  1.0
  O  O11  1  0.386  0.295  0.481  1.0
  O  O12  1  0.599  0.529  0.884  1.0
  O  O13  1  0.356  0.785  0.384  1.0
  O  O14  1  0.186  0.596  0.981  1.0
  O  O15  1  0.599  0.033  0.208  1.0
  O  O16  1  0.796  0.875  0.265  1.0
  O  O17  1  0.651  0.727  0.516  1.0
  O  O18  1  0.385  0.475  0.114  1.0
  O  O19  1  0.639  0.229  0.614  1.0
  O  O20  1  0.789  0.365  0.016  1.0
  O  O21  1  0.390  0.969  0.765  1.0
  O  O22  1  0.990  0.235  0.406  1.0
  O  O23  1  0.365  0.604  0.590  1.0
  O  O24  1  0.188  0.420  0.796  1.0
  O  O25  1  0.376  0.109  0.296  1.0
  O  O26  1  0.986  0.726  0.090  1.0
  O  O27  1  0.171  0.916  0.906  1.0
  O  O28  1  0.004  0.760  0.567  1.0
  O  O29  1  0.657  0.415  0.441  1.0
  O  O30  1  0.776  0.546  0.225  1.0
  O  O31  1  0.679  0.949  0.725  1.0
  O  O32  1  0.026  0.283  0.941  1.0
  O  O33  1  0.807  0.063  0.067  1.0
  S  S34  1  0.512  0.260  0.458  1.0
  S  S35  1  0.198  0.446  0.958  1.0
  Si  Si36  1  0.186  0.946  0.743  1.0
  Si  Si37  1  0.788  0.548  0.048  1.0
  Si  Si38  1  0.500  0.761  0.548  1.0
  Si  Si39  1  0.796  0.056  0.243  1.0
  Sn  Sn40  1  0.726  0.678  0.358  1.0
  Sn  Sn41  1  0.680  0.132  0.858  1.0
[/CIF]
.