The crystal structure described by Na4In2Si2SO12 crystallizes in the monoclinic Cc space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(7), one O(9), and two equivalent O(5) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(3), one O(4), one O(6), one O(8), 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(4), one O(7), one O(8), and two equivalent O(2) 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. There are two inequivalent In sites. In the first In site, In(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 distorted InO6 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. In the second In site, In(2) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form InO6 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. There are two inequivalent Si sites. In the first Si site, Si(1) 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 In(1)O6 octahedra and corners with two equivalent In(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-45°. In the second Si site, Si(2) is bonded to one O(12), one O(3), one O(4), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra and corners with two equivalent In(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-41°. S(1) is bonded to one O(1), one O(10), one O(6), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra and corners with two equivalent In(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-36°. 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 In(1), and one S(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(3), one In(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), one In(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one In(2), and one Si(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Na(1), one In(2), and one Si(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(2), one In(2), and one S(1) atom. In the seventh O site, O(7) is bonded to one Na(1), one Na(3), one Na(4), one In(1), and one Si(2) atom to form a mixture of distorted edge, face, and corner-sharing ONa3InSi trigonal bipyramids. In the eighth O site, O(8) is bonded to one Na(2), one Na(3), one Na(4), one In(1), and one Si(1) atom to form a mixture of distorted edge, face, and corner-sharing ONa3InSi trigonal bipyramids. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Na(1), one Na(2), one Na(4), one In(1), and one S(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Na(4), one In(2), and one S(1) atom. In the eleventh O site, O(11) is bonded to one Na(1), one Na(2), one Na(4), one In(2), and one Si(1) atom to form a mixture of distorted edge, face, and corner-sharing ONa3InSi trigonal bipyramids. In the twelfth O site, O(12) is bonded to one Na(2), one Na(3), one Na(4), one In(2), and one Si(2) atom to form a mixture of distorted edge, face, and corner-sharing ONa3InSi trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4In2Si2SO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.236
_cell_length_b   9.271
_cell_length_c   9.271
_cell_angle_alpha   60.555
_cell_angle_beta   60.236
_cell_angle_gamma   60.236
_symmetry_Int_Tables_number   1
_cell_volume   565.610
_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
  In  In0  1  0.355  0.360  0.331  1.0
  In  In1  1  0.855  0.831  0.860  1.0
  In  In2  1  0.654  0.649  0.650  1.0
  In  In3  1  0.154  0.150  0.149  1.0
  Na  Na4  1  0.606  0.257  0.904  1.0
  Na  Na5  1  0.253  0.860  0.608  1.0
  Na  Na6  1  0.884  0.637  0.243  1.0
  Na  Na7  1  0.753  0.108  0.360  1.0
  Na  Na8  1  0.106  0.404  0.757  1.0
  Na  Na9  1  0.384  0.743  0.137  1.0
  Na  Na10  1  0.487  0.525  0.489  1.0
  Na  Na11  1  0.987  0.989  0.025  1.0
  O  O12  1  0.110  0.276  0.526  1.0
  O  O13  1  0.265  0.536  0.123  1.0
  O  O14  1  0.522  0.120  0.287  1.0
  O  O15  1  0.765  0.623  0.036  1.0
  O  O16  1  0.610  0.026  0.776  1.0
  O  O17  1  0.022  0.787  0.620  1.0
  O  O18  1  0.873  0.728  0.471  1.0
  O  O19  1  0.725  0.469  0.878  1.0
  O  O20  1  0.477  0.894  0.718  1.0
  O  O21  1  0.225  0.378  0.969  1.0
  O  O22  1  0.373  0.971  0.228  1.0
  O  O23  1  0.977  0.218  0.394  1.0
  O  O24  1  0.225  0.569  0.444  1.0
  O  O25  1  0.588  0.416  0.241  1.0
  O  O26  1  0.426  0.212  0.597  1.0
  O  O27  1  0.088  0.741  0.916  1.0
  O  O28  1  0.725  0.944  0.069  1.0
  O  O29  1  0.926  0.097  0.712  1.0
  O  O30  1  0.790  0.405  0.567  1.0
  O  O31  1  0.429  0.567  0.767  1.0
  O  O32  1  0.578  0.766  0.415  1.0
  O  O33  1  0.929  0.267  0.067  1.0
  O  O34  1  0.290  0.067  0.905  1.0
  O  O35  1  0.078  0.915  0.266  1.0
  S  S36  1  0.953  0.249  0.549  1.0
  S  S37  1  0.453  0.049  0.749  1.0
  Si  Si38  1  0.252  0.552  0.945  1.0
  Si  Si39  1  0.549  0.951  0.250  1.0
  Si  Si40  1  0.752  0.445  0.052  1.0
  Si  Si41  1  0.049  0.750  0.451  1.0
[/CIF]
.
The crystal structure described by Na4In2Si2SO12 crystallizes in the monoclinic Cc space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(7), one O(9), and two equivalent O(5) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(11), one O(12), one O(3), one O(4), one O(6), one O(8), 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(4), one O(7), one O(8), and two equivalent O(2) 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. There are two inequivalent In sites. In the first In site, In(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 distorted InO6 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. In the second In site, In(2) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form InO6 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. There are two inequivalent Si sites. In the first Si site, Si(1) 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 In(1)O6 octahedra and corners with two equivalent In(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-45°. In the second Si site, Si(2) is bonded to one O(12), one O(3), one O(4), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra and corners with two equivalent In(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-41°. S(1) is bonded to one O(1), one O(10), one O(6), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra and corners with two equivalent In(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-36°. 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 In(1), and one S(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(3), one In(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), one In(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one In(2), and one Si(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Na(1), one In(2), and one Si(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(2), one In(2), and one S(1) atom. In the seventh O site, O(7) is bonded to one Na(1), one Na(3), one Na(4), one In(1), and one Si(2) atom to form a mixture of distorted edge, face, and corner-sharing ONa3InSi trigonal bipyramids. In the eighth O site, O(8) is bonded to one Na(2), one Na(3), one Na(4), one In(1), and one Si(1) atom to form a mixture of distorted edge, face, and corner-sharing ONa3InSi trigonal bipyramids. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Na(1), one Na(2), one Na(4), one In(1), and one S(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Na(4), one In(2), and one S(1) atom. In the eleventh O site, O(11) is bonded to one Na(1), one Na(2), one Na(4), one In(2), and one Si(1) atom to form a mixture of distorted edge, face, and corner-sharing ONa3InSi trigonal bipyramids. In the twelfth O site, O(12) is bonded to one Na(2), one Na(3), one Na(4), one In(2), and one Si(2) atom to form a mixture of distorted edge, face, and corner-sharing ONa3InSi trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4In2Si2SO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.236
_cell_length_b   9.271
_cell_length_c   9.271
_cell_angle_alpha   60.555
_cell_angle_beta   60.236
_cell_angle_gamma   60.236
_symmetry_Int_Tables_number   1
_cell_volume   565.610
_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
  In  In0  1  0.355  0.360  0.331  1.0
  In  In1  1  0.855  0.831  0.860  1.0
  In  In2  1  0.654  0.649  0.650  1.0
  In  In3  1  0.154  0.150  0.149  1.0
  Na  Na4  1  0.606  0.257  0.904  1.0
  Na  Na5  1  0.253  0.860  0.608  1.0
  Na  Na6  1  0.884  0.637  0.243  1.0
  Na  Na7  1  0.753  0.108  0.360  1.0
  Na  Na8  1  0.106  0.404  0.757  1.0
  Na  Na9  1  0.384  0.743  0.137  1.0
  Na  Na10  1  0.487  0.525  0.489  1.0
  Na  Na11  1  0.987  0.989  0.025  1.0
  O  O12  1  0.110  0.276  0.526  1.0
  O  O13  1  0.265  0.536  0.123  1.0
  O  O14  1  0.522  0.120  0.287  1.0
  O  O15  1  0.765  0.623  0.036  1.0
  O  O16  1  0.610  0.026  0.776  1.0
  O  O17  1  0.022  0.787  0.620  1.0
  O  O18  1  0.873  0.728  0.471  1.0
  O  O19  1  0.725  0.469  0.878  1.0
  O  O20  1  0.477  0.894  0.718  1.0
  O  O21  1  0.225  0.378  0.969  1.0
  O  O22  1  0.373  0.971  0.228  1.0
  O  O23  1  0.977  0.218  0.394  1.0
  O  O24  1  0.225  0.569  0.444  1.0
  O  O25  1  0.588  0.416  0.241  1.0
  O  O26  1  0.426  0.212  0.597  1.0
  O  O27  1  0.088  0.741  0.916  1.0
  O  O28  1  0.725  0.944  0.069  1.0
  O  O29  1  0.926  0.097  0.712  1.0
  O  O30  1  0.790  0.405  0.567  1.0
  O  O31  1  0.429  0.567  0.767  1.0
  O  O32  1  0.578  0.766  0.415  1.0
  O  O33  1  0.929  0.267  0.067  1.0
  O  O34  1  0.290  0.067  0.905  1.0
  O  O35  1  0.078  0.915  0.266  1.0
  S  S36  1  0.953  0.249  0.549  1.0
  S  S37  1  0.453  0.049  0.749  1.0
  Si  Si38  1  0.252  0.552  0.945  1.0
  Si  Si39  1  0.549  0.951  0.250  1.0
  Si  Si40  1  0.752  0.445  0.052  1.0
  Si  Si41  1  0.049  0.750  0.451  1.0
[/CIF]
.