The material structure described by Na3GaSnSi2SO12 crystallizes in the monoclinic Cc space group. There are three 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 8-coordinate geometry to one O(10), one O(12), one O(4), one O(6), one O(7), one O(8), and two equivalent O(2) atoms. In the third Na site, Na(3) is bonded in a distorted hexagonal planar geometry to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom. Ga(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 GaO6 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 to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form SnO6 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(1), one O(10), one O(6), and one O(9) atom to form SiO4 tetrahedra that share corners with two equivalent Ga(1)O6 octahedra and corners with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-38°. 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 Ga(1)O6 octahedra and corners with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-43°. 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 Ga(1)O6 octahedra and corners with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-36°. 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 Ga(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(2), one Ga(1), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Ga(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(2), one Sn(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Sn(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Na(2), one Sn(1), and one Si(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Ga(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 Ga(1), and one Si(2) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Na(1), one Na(3), one Ga(1), and one Si(1) atom. In the tenth O site, O(10) is bonded to one Na(1), one Na(2), one Na(3), one Sn(1), and one Si(1) atom to form distorted face-sharing ONa3SiSn trigonal bipyramids. In the eleventh O site, O(11) is bonded to one Na(1), one Na(3), one Sn(1), and one Si(2) atom to form distorted face-sharing ONa2SiSn trigonal pyramids. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Sn(1), and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3GaSi2SnSO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.940
_cell_length_b   8.959
_cell_length_c   9.023
_cell_angle_alpha   60.739
_cell_angle_beta   90.000
_cell_angle_gamma   119.931
_symmetry_Int_Tables_number   1
_cell_volume   517.184
_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
  Ga  Ga0  1  0.354  0.698  0.946  1.0
  Ga  Ga1  1  0.844  0.698  0.446  1.0
  Na  Na2  1  0.875  0.122  0.261  1.0
  Na  Na3  1  0.244  0.849  0.260  1.0
  Na  Na4  1  0.747  0.122  0.761  1.0
  Na  Na5  1  0.105  0.849  0.760  1.0
  Na  Na6  1  0.502  0.984  0.509  1.0
  Na  Na7  1  0.982  0.984  0.009  1.0
  O  O8  1  0.515  0.797  0.063  1.0
  O  O9  1  0.142  0.658  0.071  1.0
  O  O10  1  0.274  0.396  0.092  1.0
  O  O11  1  0.017  0.658  0.571  1.0
  O  O12  1  0.782  0.797  0.563  1.0
  O  O13  1  0.622  0.396  0.592  1.0
  O  O14  1  0.473  0.203  0.916  1.0
  O  O15  1  0.865  0.337  0.924  1.0
  O  O16  1  0.730  0.595  0.920  1.0
  O  O17  1  0.971  0.337  0.424  1.0
  O  O18  1  0.230  0.203  0.416  1.0
  O  O19  1  0.365  0.595  0.420  1.0
  O  O20  1  0.438  0.031  0.761  1.0
  O  O21  1  0.227  0.669  0.773  1.0
  O  O22  1  0.577  0.812  0.765  1.0
  O  O23  1  0.942  0.669  0.273  1.0
  O  O24  1  0.093  0.031  0.261  1.0
  O  O25  1  0.736  0.812  0.265  1.0
  O  O26  1  0.557  0.993  0.230  1.0
  O  O27  1  0.771  0.335  0.241  1.0
  O  O28  1  0.411  0.198  0.230  1.0
  O  O29  1  0.063  0.335  0.741  1.0
  O  O30  1  0.936  0.993  0.730  1.0
  O  O31  1  0.287  0.198  0.730  1.0
  S  S32  1  0.253  0.212  0.247  1.0
  S  S33  1  0.459  0.212  0.747  1.0
  Si  Si34  1  0.547  0.792  0.242  1.0
  Si  Si35  1  0.960  0.511  0.245  1.0
  Si  Si36  1  0.051  0.511  0.745  1.0
  Si  Si37  1  0.746  0.792  0.742  1.0
  Sn  Sn38  1  0.665  0.308  0.054  1.0
  Sn  Sn39  1  0.143  0.308  0.554  1.0
[/CIF]
.
The material structure described by Na3GaSnSi2SO12 crystallizes in the monoclinic Cc space group. There are three 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 8-coordinate geometry to one O(10), one O(12), one O(4), one O(6), one O(7), one O(8), and two equivalent O(2) atoms. In the third Na site, Na(3) is bonded in a distorted hexagonal planar geometry to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom. Ga(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 GaO6 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 to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form SnO6 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(1), one O(10), one O(6), and one O(9) atom to form SiO4 tetrahedra that share corners with two equivalent Ga(1)O6 octahedra and corners with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-38°. 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 Ga(1)O6 octahedra and corners with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-43°. 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 Ga(1)O6 octahedra and corners with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-36°. 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 Ga(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(2), one Ga(1), and one Si(2) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Ga(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(2), one Sn(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Sn(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Na(2), one Sn(1), and one Si(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Ga(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 Ga(1), and one Si(2) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Na(1), one Na(3), one Ga(1), and one Si(1) atom. In the tenth O site, O(10) is bonded to one Na(1), one Na(2), one Na(3), one Sn(1), and one Si(1) atom to form distorted face-sharing ONa3SiSn trigonal bipyramids. In the eleventh O site, O(11) is bonded to one Na(1), one Na(3), one Sn(1), and one Si(2) atom to form distorted face-sharing ONa2SiSn trigonal pyramids. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Sn(1), and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na3GaSi2SnSO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.940
_cell_length_b   8.959
_cell_length_c   9.023
_cell_angle_alpha   60.739
_cell_angle_beta   90.000
_cell_angle_gamma   119.931
_symmetry_Int_Tables_number   1
_cell_volume   517.184
_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
  Ga  Ga0  1  0.354  0.698  0.946  1.0
  Ga  Ga1  1  0.844  0.698  0.446  1.0
  Na  Na2  1  0.875  0.122  0.261  1.0
  Na  Na3  1  0.244  0.849  0.260  1.0
  Na  Na4  1  0.747  0.122  0.761  1.0
  Na  Na5  1  0.105  0.849  0.760  1.0
  Na  Na6  1  0.502  0.984  0.509  1.0
  Na  Na7  1  0.982  0.984  0.009  1.0
  O  O8  1  0.515  0.797  0.063  1.0
  O  O9  1  0.142  0.658  0.071  1.0
  O  O10  1  0.274  0.396  0.092  1.0
  O  O11  1  0.017  0.658  0.571  1.0
  O  O12  1  0.782  0.797  0.563  1.0
  O  O13  1  0.622  0.396  0.592  1.0
  O  O14  1  0.473  0.203  0.916  1.0
  O  O15  1  0.865  0.337  0.924  1.0
  O  O16  1  0.730  0.595  0.920  1.0
  O  O17  1  0.971  0.337  0.424  1.0
  O  O18  1  0.230  0.203  0.416  1.0
  O  O19  1  0.365  0.595  0.420  1.0
  O  O20  1  0.438  0.031  0.761  1.0
  O  O21  1  0.227  0.669  0.773  1.0
  O  O22  1  0.577  0.812  0.765  1.0
  O  O23  1  0.942  0.669  0.273  1.0
  O  O24  1  0.093  0.031  0.261  1.0
  O  O25  1  0.736  0.812  0.265  1.0
  O  O26  1  0.557  0.993  0.230  1.0
  O  O27  1  0.771  0.335  0.241  1.0
  O  O28  1  0.411  0.198  0.230  1.0
  O  O29  1  0.063  0.335  0.741  1.0
  O  O30  1  0.936  0.993  0.730  1.0
  O  O31  1  0.287  0.198  0.730  1.0
  S  S32  1  0.253  0.212  0.247  1.0
  S  S33  1  0.459  0.212  0.747  1.0
  Si  Si34  1  0.547  0.792  0.242  1.0
  Si  Si35  1  0.960  0.511  0.245  1.0
  Si  Si36  1  0.051  0.511  0.745  1.0
  Si  Si37  1  0.746  0.792  0.742  1.0
  Sn  Sn38  1  0.665  0.308  0.054  1.0
  Sn  Sn39  1  0.143  0.308  0.554  1.0
[/CIF]
.