The structure described by Na2Zr(WO4)3 crystallizes in the tetragonal I4_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form distorted NaO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra, corners with four equivalent W(3)O4 tetrahedra, and edges with two equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. In the second Na site, Na(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form NaO6 octahedra that share corners with two equivalent W(2)O6 octahedra, corners with two equivalent W(3)O4 tetrahedra, and edges with two equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. Zr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form ZrO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent W(2)O6 octahedra, and corners with two equivalent W(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-61°. There are three inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second W site, W(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent Na(2)O6 octahedra and corners with four equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. In the third W site, W(3) is bonded to two equivalent O(2) and two equivalent O(5) atoms to form WO4 tetrahedra that share corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Zr(1)O6 octahedra, and corners with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-74°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one W(3) atom. In the second O site, O(6) is bonded in a bent 150 degrees geometry to one Zr(1) and one W(2) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Zr(1), one W(1), and one W(2) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Zr(1), and one W(3) atom. In the fifth O site, O(3) is bonded in a trigonal planar geometry to one Na(2), one W(1), and one W(2) atom. In the sixth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2Zr(WO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.510
_cell_length_b   19.510
_cell_length_c   19.510
_cell_angle_alpha   164.947
_cell_angle_beta   164.947
_cell_angle_gamma   21.350
_symmetry_Int_Tables_number   1
_cell_volume   500.851
_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  0.014  0.514  0.500  1.0
  Na  Na1  1  0.823  0.323  0.500  1.0
  Na  Na2  1  0.073  0.073  0.000  1.0
  Na  Na3  1  0.264  0.264  0.000  1.0
  Zr  Zr4  1  0.178  0.678  0.500  1.0
  Zr  Zr5  1  0.428  0.428  0.000  1.0
  W  W6  1  0.595  0.595  0.000  1.0
  W  W7  1  0.345  0.845  0.500  1.0
  W  W8  1  0.901  0.901  0.000  1.0
  W  W9  1  0.495  0.995  0.500  1.0
  W  W10  1  0.651  0.151  0.500  1.0
  W  W11  1  0.745  0.745  0.000  1.0
  O  O12  1  0.882  0.843  0.436  1.0
  O  O13  1  0.619  0.696  0.374  1.0
  O  O14  1  0.793  0.302  0.872  1.0
  O  O15  1  0.052  0.680  0.010  1.0
  O  O16  1  0.446  0.572  0.577  1.0
  O  O17  1  0.447  0.579  0.393  1.0
  O  O18  1  0.804  0.697  0.368  1.0
  O  O19  1  0.995  0.869  0.423  1.0
  O  O20  1  0.906  0.523  0.885  1.0
  O  O21  1  0.273  0.888  0.117  1.0
  O  O22  1  0.430  0.920  0.128  1.0
  O  O23  1  0.670  0.043  0.990  1.0
  O  O24  1  0.911  0.356  0.904  1.0
  O  O25  1  0.106  0.702  0.945  1.0
  O  O26  1  0.186  0.054  0.607  1.0
  O  O27  1  0.329  0.436  0.632  1.0
  O  O28  1  0.771  0.156  0.883  1.0
  O  O29  1  0.593  0.657  0.460  1.0
  O  O30  1  0.197  0.132  0.540  1.0
  O  O31  1  0.638  0.021  0.115  1.0
  O  O32  1  0.407  0.447  0.564  1.0
  O  O33  1  0.756  0.161  0.055  1.0
  O  O34  1  0.452  0.006  0.096  1.0
  O  O35  1  0.322  0.245  0.626  1.0
[/CIF]
.
The structure described by Na2Zr(WO4)3 crystallizes in the tetragonal I4_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form distorted NaO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra, corners with four equivalent W(3)O4 tetrahedra, and edges with two equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. In the second Na site, Na(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form NaO6 octahedra that share corners with two equivalent W(2)O6 octahedra, corners with two equivalent W(3)O4 tetrahedra, and edges with two equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. Zr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form ZrO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent W(2)O6 octahedra, and corners with two equivalent W(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-61°. There are three inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second W site, W(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form WO6 octahedra that share corners with two equivalent Na(2)O6 octahedra and corners with four equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. In the third W site, W(3) is bonded to two equivalent O(2) and two equivalent O(5) atoms to form WO4 tetrahedra that share corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Zr(1)O6 octahedra, and corners with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-74°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one W(3) atom. In the second O site, O(6) is bonded in a bent 150 degrees geometry to one Zr(1) and one W(2) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Zr(1), one W(1), and one W(2) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Zr(1), and one W(3) atom. In the fifth O site, O(3) is bonded in a trigonal planar geometry to one Na(2), one W(1), and one W(2) atom. In the sixth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2Zr(WO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.510
_cell_length_b   19.510
_cell_length_c   19.510
_cell_angle_alpha   164.947
_cell_angle_beta   164.947
_cell_angle_gamma   21.350
_symmetry_Int_Tables_number   1
_cell_volume   500.851
_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  0.014  0.514  0.500  1.0
  Na  Na1  1  0.823  0.323  0.500  1.0
  Na  Na2  1  0.073  0.073  0.000  1.0
  Na  Na3  1  0.264  0.264  0.000  1.0
  Zr  Zr4  1  0.178  0.678  0.500  1.0
  Zr  Zr5  1  0.428  0.428  0.000  1.0
  W  W6  1  0.595  0.595  0.000  1.0
  W  W7  1  0.345  0.845  0.500  1.0
  W  W8  1  0.901  0.901  0.000  1.0
  W  W9  1  0.495  0.995  0.500  1.0
  W  W10  1  0.651  0.151  0.500  1.0
  W  W11  1  0.745  0.745  0.000  1.0
  O  O12  1  0.882  0.843  0.436  1.0
  O  O13  1  0.619  0.696  0.374  1.0
  O  O14  1  0.793  0.302  0.872  1.0
  O  O15  1  0.052  0.680  0.010  1.0
  O  O16  1  0.446  0.572  0.577  1.0
  O  O17  1  0.447  0.579  0.393  1.0
  O  O18  1  0.804  0.697  0.368  1.0
  O  O19  1  0.995  0.869  0.423  1.0
  O  O20  1  0.906  0.523  0.885  1.0
  O  O21  1  0.273  0.888  0.117  1.0
  O  O22  1  0.430  0.920  0.128  1.0
  O  O23  1  0.670  0.043  0.990  1.0
  O  O24  1  0.911  0.356  0.904  1.0
  O  O25  1  0.106  0.702  0.945  1.0
  O  O26  1  0.186  0.054  0.607  1.0
  O  O27  1  0.329  0.436  0.632  1.0
  O  O28  1  0.771  0.156  0.883  1.0
  O  O29  1  0.593  0.657  0.460  1.0
  O  O30  1  0.197  0.132  0.540  1.0
  O  O31  1  0.638  0.021  0.115  1.0
  O  O32  1  0.407  0.447  0.564  1.0
  O  O33  1  0.756  0.161  0.055  1.0
  O  O34  1  0.452  0.006  0.096  1.0
  O  O35  1  0.322  0.245  0.626  1.0
[/CIF]
.