The compound described by Na3TaZnSi2SO12 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and 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 6-coordinate geometry to one O(10), one O(12), one O(2), one O(4), one O(7), and one O(8) atom. In the third Na site, Na(3) 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. Ta(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 TaO6 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. Zn(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom. 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 Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-37°. 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 Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-35°. 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 Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-40°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Na(1), one Zn(1), and one S(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one Zn(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Zn(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Na(2), one Ta(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(1), one Ta(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ta(1) and one S(1) atom. In the seventh O site, O(7) is bonded to one Na(1), one Na(2), one Na(3), one Zn(1), and one Si(2) atom to form distorted face-sharing ONa3ZnSi trigonal bipyramids. In the eighth O site, O(8) is bonded to one Na(2), one Na(3), one Zn(1), and one Si(1) atom to form distorted face-sharing ONa2ZnSi trigonal pyramids. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Zn(1), and one S(1) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), one Na(3), one Ta(1), and one S(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Ta(1), and one Si(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(3), one Ta(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_Na3TaZnSi2SO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.057
_cell_length_b   9.057
_cell_length_c   9.060
_cell_angle_alpha   91.772
_cell_angle_beta   118.767
_cell_angle_gamma   119.188
_symmetry_Int_Tables_number   1
_cell_volume   533.475
_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  0.476  0.086  0.242  1.0
  Na  Na1  1  0.896  0.783  0.262  1.0
  Na  Na2  1  0.156  0.266  0.742  1.0
  Na  Na3  1  0.479  0.866  0.762  1.0
  Na  Na4  1  0.039  0.521  0.527  1.0
  Na  Na5  1  0.006  0.988  0.027  1.0
  O  O6  1  0.368  0.473  0.079  1.0
  O  O7  1  0.601  0.873  0.066  1.0
  O  O8  1  0.208  0.709  0.077  1.0
  O  O9  1  0.193  0.965  0.566  1.0
  O  O10  1  0.607  0.211  0.579  1.0
  O  O11  1  0.368  0.370  0.577  1.0
  O  O12  1  0.647  0.508  0.930  1.0
  O  O13  1  0.418  0.144  0.921  1.0
  O  O14  1  0.777  0.276  0.904  1.0
  O  O15  1  0.777  0.002  0.421  1.0
  O  O16  1  0.422  0.783  0.430  1.0
  O  O17  1  0.628  0.627  0.404  1.0
  O  O18  1  0.342  0.565  0.768  1.0
  O  O19  1  0.180  0.769  0.758  1.0
  O  O20  1  0.979  0.388  0.773  1.0
  O  O21  1  0.989  0.077  0.258  1.0
  O  O22  1  0.203  0.926  0.268  1.0
  O  O23  1  0.385  0.294  0.273  1.0
  O  O24  1  0.667  0.456  0.241  1.0
  O  O25  1  0.779  0.226  0.229  1.0
  O  O26  1  0.999  0.572  0.231  1.0
  O  O27  1  0.003  0.951  0.729  1.0
  O  O28  1  0.785  0.075  0.741  1.0
  O  O29  1  0.659  0.732  0.731  1.0
  S  S30  1  0.497  0.456  0.243  1.0
  S  S31  1  0.787  0.246  0.743  1.0
  Si  Si32  1  0.792  0.047  0.242  1.0
  Si  Si33  1  0.205  0.748  0.247  1.0
  Si  Si34  1  0.196  0.951  0.742  1.0
  Si  Si35  1  0.499  0.542  0.747  1.0
  Ta  Ta36  1  0.709  0.359  0.061  1.0
  Ta  Ta37  1  0.702  0.852  0.561  1.0
  Zn  Zn38  1  0.312  0.684  0.948  1.0
  Zn  Zn39  1  0.264  0.136  0.448  1.0
[/CIF]
.
The compound described by Na3TaZnSi2SO12 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and 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 6-coordinate geometry to one O(10), one O(12), one O(2), one O(4), one O(7), and one O(8) atom. In the third Na site, Na(3) 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. Ta(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 TaO6 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. Zn(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom. 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 Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-37°. 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 Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-35°. 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 Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-40°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Na(1), one Zn(1), and one S(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one Zn(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Zn(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Na(2), one Ta(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(1), one Ta(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ta(1) and one S(1) atom. In the seventh O site, O(7) is bonded to one Na(1), one Na(2), one Na(3), one Zn(1), and one Si(2) atom to form distorted face-sharing ONa3ZnSi trigonal bipyramids. In the eighth O site, O(8) is bonded to one Na(2), one Na(3), one Zn(1), and one Si(1) atom to form distorted face-sharing ONa2ZnSi trigonal pyramids. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Zn(1), and one S(1) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), one Na(3), one Ta(1), and one S(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Na(1), one Na(3), one Ta(1), and one Si(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), one Na(3), one Ta(1), and one Si(2) atom. is represented by the CIF card [CIF]
data_Na3TaZnSi2SO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.057
_cell_length_b   9.057
_cell_length_c   9.060
_cell_angle_alpha   91.772
_cell_angle_beta   118.767
_cell_angle_gamma   119.188
_symmetry_Int_Tables_number   1
_cell_volume   533.475
_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  0.476  0.086  0.242  1.0
  Na  Na1  1  0.896  0.783  0.262  1.0
  Na  Na2  1  0.156  0.266  0.742  1.0
  Na  Na3  1  0.479  0.866  0.762  1.0
  Na  Na4  1  0.039  0.521  0.527  1.0
  Na  Na5  1  0.006  0.988  0.027  1.0
  O  O6  1  0.368  0.473  0.079  1.0
  O  O7  1  0.601  0.873  0.066  1.0
  O  O8  1  0.208  0.709  0.077  1.0
  O  O9  1  0.193  0.965  0.566  1.0
  O  O10  1  0.607  0.211  0.579  1.0
  O  O11  1  0.368  0.370  0.577  1.0
  O  O12  1  0.647  0.508  0.930  1.0
  O  O13  1  0.418  0.144  0.921  1.0
  O  O14  1  0.777  0.276  0.904  1.0
  O  O15  1  0.777  0.002  0.421  1.0
  O  O16  1  0.422  0.783  0.430  1.0
  O  O17  1  0.628  0.627  0.404  1.0
  O  O18  1  0.342  0.565  0.768  1.0
  O  O19  1  0.180  0.769  0.758  1.0
  O  O20  1  0.979  0.388  0.773  1.0
  O  O21  1  0.989  0.077  0.258  1.0
  O  O22  1  0.203  0.926  0.268  1.0
  O  O23  1  0.385  0.294  0.273  1.0
  O  O24  1  0.667  0.456  0.241  1.0
  O  O25  1  0.779  0.226  0.229  1.0
  O  O26  1  0.999  0.572  0.231  1.0
  O  O27  1  0.003  0.951  0.729  1.0
  O  O28  1  0.785  0.075  0.741  1.0
  O  O29  1  0.659  0.732  0.731  1.0
  S  S30  1  0.497  0.456  0.243  1.0
  S  S31  1  0.787  0.246  0.743  1.0
  Si  Si32  1  0.792  0.047  0.242  1.0
  Si  Si33  1  0.205  0.748  0.247  1.0
  Si  Si34  1  0.196  0.951  0.742  1.0
  Si  Si35  1  0.499  0.542  0.747  1.0
  Ta  Ta36  1  0.709  0.359  0.061  1.0
  Ta  Ta37  1  0.702  0.852  0.561  1.0
  Zn  Zn38  1  0.312  0.684  0.948  1.0
  Zn  Zn39  1  0.264  0.136  0.448  1.0
[/CIF]
.