The material structure described by Na4Zn2P2SO12 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 8-coordinate geometry to one O(11), one O(12), one O(5), one O(6), one O(7), one O(9), and two equivalent O(1) atoms. 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. There are two inequivalent Zn sites. In the first Zn site, Zn(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 ZnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent S(1)O4 tetrahedra. In the second Zn site, Zn(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 distorted ZnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent S(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with two equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-42°. In the second P site, P(2) is bonded to one O(12), one O(3), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with two equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-38°. 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 Zn(1)O6 octahedra and corners with two equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-37°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(2), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Zn(1), and one S(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Zn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Na(3), one Zn(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Zn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(2), one Zn(2), 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 Zn(1), and one P(1) atom to form a mixture of distorted face, corner, and edge-sharing ONa3ZnP trigonal bipyramids. In the eighth O site, O(8) is bonded to one Na(1), one Na(3), one Na(4), one Zn(1), and one P(2) atom to form a mixture of distorted face, corner, and edge-sharing ONa3ZnP trigonal bipyramids. 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 Zn(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 Zn(2), and one P(1) atom to form a mixture of distorted face, corner, and edge-sharing ONa3ZnP trigonal bipyramids. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(4), one Zn(2), and one S(1) atom. In the twelfth O site, O(12) is bonded to one Na(2), one Na(3), one Na(4), one Zn(2), and one P(2) atom to form a mixture of distorted face, corner, and edge-sharing ONa3ZnP trigonal bipyramids. is represented by the CIF file [CIF]
data_Na4Zn2P2SO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.982
_cell_length_b   9.039
_cell_length_c   9.039
_cell_angle_alpha   60.625
_cell_angle_beta   60.521
_cell_angle_gamma   60.521
_symmetry_Int_Tables_number   1
_cell_volume   525.389
_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
  Na  Na0  1  0.752  0.372  0.113  1.0
  Na  Na1  1  0.111  0.753  0.394  1.0
  Na  Na2  1  0.382  0.127  0.745  1.0
  Na  Na3  1  0.882  0.245  0.627  1.0
  Na  Na4  1  0.611  0.894  0.253  1.0
  Na  Na5  1  0.252  0.613  0.872  1.0
  Na  Na6  1  0.493  0.495  0.512  1.0
  Na  Na7  1  0.993  0.012  0.995  1.0
  O  O8  1  0.722  0.881  0.474  1.0
  O  O9  1  0.477  0.720  0.888  1.0
  O  O10  1  0.877  0.477  0.724  1.0
  O  O11  1  0.377  0.224  0.977  1.0
  O  O12  1  0.977  0.388  0.220  1.0
  O  O13  1  0.222  0.974  0.381  1.0
  O  O14  1  0.272  0.118  0.529  1.0
  O  O15  1  0.521  0.283  0.119  1.0
  O  O16  1  0.116  0.522  0.278  1.0
  O  O17  1  0.616  0.778  0.022  1.0
  O  O18  1  0.021  0.619  0.783  1.0
  O  O19  1  0.772  0.029  0.618  1.0
  O  O20  1  0.420  0.776  0.570  1.0
  O  O21  1  0.572  0.414  0.777  1.0
  O  O22  1  0.785  0.568  0.409  1.0
  O  O23  1  0.285  0.909  0.068  1.0
  O  O24  1  0.072  0.277  0.914  1.0
  O  O25  1  0.920  0.070  0.276  1.0
  O  O26  1  0.586  0.226  0.425  1.0
  O  O27  1  0.429  0.592  0.214  1.0
  O  O28  1  0.221  0.436  0.580  1.0
  O  O29  1  0.721  0.080  0.936  1.0
  O  O30  1  0.929  0.714  0.092  1.0
  O  O31  1  0.086  0.925  0.726  1.0
  P  P32  1  0.751  0.048  0.450  1.0
  P  P33  1  0.046  0.453  0.750  1.0
  P  P34  1  0.546  0.250  0.953  1.0
  P  P35  1  0.251  0.950  0.548  1.0
  S  S36  1  0.454  0.749  0.048  1.0
  S  S37  1  0.954  0.548  0.249  1.0
  Zn  Zn38  1  0.655  0.654  0.654  1.0
  Zn  Zn39  1  0.155  0.154  0.154  1.0
  Zn  Zn40  1  0.356  0.326  0.356  1.0
  Zn  Zn41  1  0.856  0.856  0.826  1.0
[/CIF]
.
The material structure described by Na4Zn2P2SO12 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 8-coordinate geometry to one O(11), one O(12), one O(5), one O(6), one O(7), one O(9), and two equivalent O(1) atoms. 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. There are two inequivalent Zn sites. In the first Zn site, Zn(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 ZnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent S(1)O4 tetrahedra. In the second Zn site, Zn(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 distorted ZnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent S(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with two equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-42°. In the second P site, P(2) is bonded to one O(12), one O(3), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with two equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-38°. 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 Zn(1)O6 octahedra and corners with two equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-37°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(2), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Zn(1), and one S(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Zn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Na(3), one Zn(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Zn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(2), one Zn(2), 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 Zn(1), and one P(1) atom to form a mixture of distorted face, corner, and edge-sharing ONa3ZnP trigonal bipyramids. In the eighth O site, O(8) is bonded to one Na(1), one Na(3), one Na(4), one Zn(1), and one P(2) atom to form a mixture of distorted face, corner, and edge-sharing ONa3ZnP trigonal bipyramids. 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 Zn(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 Zn(2), and one P(1) atom to form a mixture of distorted face, corner, and edge-sharing ONa3ZnP trigonal bipyramids. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(4), one Zn(2), and one S(1) atom. In the twelfth O site, O(12) is bonded to one Na(2), one Na(3), one Na(4), one Zn(2), and one P(2) atom to form a mixture of distorted face, corner, and edge-sharing ONa3ZnP trigonal bipyramids. is represented by the CIF file [CIF]
data_Na4Zn2P2SO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.982
_cell_length_b   9.039
_cell_length_c   9.039
_cell_angle_alpha   60.625
_cell_angle_beta   60.521
_cell_angle_gamma   60.521
_symmetry_Int_Tables_number   1
_cell_volume   525.389
_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
  Na  Na0  1  0.752  0.372  0.113  1.0
  Na  Na1  1  0.111  0.753  0.394  1.0
  Na  Na2  1  0.382  0.127  0.745  1.0
  Na  Na3  1  0.882  0.245  0.627  1.0
  Na  Na4  1  0.611  0.894  0.253  1.0
  Na  Na5  1  0.252  0.613  0.872  1.0
  Na  Na6  1  0.493  0.495  0.512  1.0
  Na  Na7  1  0.993  0.012  0.995  1.0
  O  O8  1  0.722  0.881  0.474  1.0
  O  O9  1  0.477  0.720  0.888  1.0
  O  O10  1  0.877  0.477  0.724  1.0
  O  O11  1  0.377  0.224  0.977  1.0
  O  O12  1  0.977  0.388  0.220  1.0
  O  O13  1  0.222  0.974  0.381  1.0
  O  O14  1  0.272  0.118  0.529  1.0
  O  O15  1  0.521  0.283  0.119  1.0
  O  O16  1  0.116  0.522  0.278  1.0
  O  O17  1  0.616  0.778  0.022  1.0
  O  O18  1  0.021  0.619  0.783  1.0
  O  O19  1  0.772  0.029  0.618  1.0
  O  O20  1  0.420  0.776  0.570  1.0
  O  O21  1  0.572  0.414  0.777  1.0
  O  O22  1  0.785  0.568  0.409  1.0
  O  O23  1  0.285  0.909  0.068  1.0
  O  O24  1  0.072  0.277  0.914  1.0
  O  O25  1  0.920  0.070  0.276  1.0
  O  O26  1  0.586  0.226  0.425  1.0
  O  O27  1  0.429  0.592  0.214  1.0
  O  O28  1  0.221  0.436  0.580  1.0
  O  O29  1  0.721  0.080  0.936  1.0
  O  O30  1  0.929  0.714  0.092  1.0
  O  O31  1  0.086  0.925  0.726  1.0
  P  P32  1  0.751  0.048  0.450  1.0
  P  P33  1  0.046  0.453  0.750  1.0
  P  P34  1  0.546  0.250  0.953  1.0
  P  P35  1  0.251  0.950  0.548  1.0
  S  S36  1  0.454  0.749  0.048  1.0
  S  S37  1  0.954  0.548  0.249  1.0
  Zn  Zn38  1  0.655  0.654  0.654  1.0
  Zn  Zn39  1  0.155  0.154  0.154  1.0
  Zn  Zn40  1  0.356  0.326  0.356  1.0
  Zn  Zn41  1  0.856  0.856  0.826  1.0
[/CIF]
.