The material described by ZrW2O8 crystallizes in the cubic P2_13 space group. Zr(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form ZrO6 octahedra that share corners with three equivalent W(2)O4 tetrahedra and corners with three equivalent W(1)O5 trigonal bipyramids. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), and three equivalent O(4) atoms to form distorted WO5 trigonal bipyramids that share corners with three equivalent Zr(1)O6 octahedra and  a cornercorner with one W(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 24°. In the second W site, W(2) is bonded to one O(2) and three equivalent O(3) atoms to form WO4 tetrahedra that share corners with three equivalent Zr(1)O6 octahedra and  a cornercorner with one W(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 7°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one W(1) atom. In the second O site, O(2) is bonded in a linear geometry to one W(1) and one W(2) atom. In the third O site, O(3) is bonded in a linear geometry to one Zr(1) and one W(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Zr(1) and one W(1) atom. is represented by the CIF card [CIF]
data_Zr(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.364
_cell_length_b   9.364
_cell_length_c   9.364
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   821.170
_cell_formula_units_Z   4
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
  Zr  Zr0  1  0.002  0.002  0.002  1.0
  Zr  Zr1  1  0.498  0.998  0.502  1.0
  Zr  Zr2  1  0.502  0.498  0.998  1.0
  Zr  Zr3  1  0.998  0.502  0.498  1.0
  W  W4  1  0.655  0.845  0.155  1.0
  W  W5  1  0.845  0.155  0.655  1.0
  W  W6  1  0.155  0.655  0.845  1.0
  W  W7  1  0.345  0.345  0.345  1.0
  W  W8  1  0.599  0.599  0.599  1.0
  W  W9  1  0.901  0.401  0.099  1.0
  W  W10  1  0.099  0.901  0.401  1.0
  W  W11  1  0.401  0.099  0.901  1.0
  O  O12  1  0.763  0.737  0.263  1.0
  O  O13  1  0.737  0.263  0.763  1.0
  O  O14  1  0.263  0.763  0.737  1.0
  O  O15  1  0.237  0.237  0.237  1.0
  O  O16  1  0.511  0.989  0.011  1.0
  O  O17  1  0.989  0.011  0.511  1.0
  O  O18  1  0.011  0.511  0.989  1.0
  O  O19  1  0.489  0.489  0.489  1.0
  O  O20  1  0.714  0.433  0.055  1.0
  O  O21  1  0.214  0.067  0.945  1.0
  O  O22  1  0.286  0.933  0.445  1.0
  O  O23  1  0.067  0.945  0.214  1.0
  O  O24  1  0.205  0.441  0.447  1.0
  O  O25  1  0.447  0.205  0.441  1.0
  O  O26  1  0.441  0.447  0.205  1.0
  O  O27  1  0.059  0.553  0.705  1.0
  O  O28  1  0.947  0.295  0.559  1.0
  O  O29  1  0.559  0.947  0.295  1.0
  O  O30  1  0.053  0.795  0.941  1.0
  O  O31  1  0.553  0.705  0.059  1.0
  O  O32  1  0.941  0.053  0.795  1.0
  O  O33  1  0.705  0.059  0.553  1.0
  O  O34  1  0.795  0.941  0.053  1.0
  O  O35  1  0.295  0.559  0.947  1.0
  O  O36  1  0.786  0.567  0.555  1.0
  O  O37  1  0.555  0.786  0.567  1.0
  O  O38  1  0.567  0.555  0.786  1.0
  O  O39  1  0.933  0.445  0.286  1.0
  O  O40  1  0.055  0.714  0.433  1.0
  O  O41  1  0.433  0.055  0.714  1.0
  O  O42  1  0.945  0.214  0.067  1.0
  O  O43  1  0.445  0.286  0.933  1.0
[/CIF]
.
The material described by ZrW2O8 crystallizes in the cubic P2_13 space group. Zr(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form ZrO6 octahedra that share corners with three equivalent W(2)O4 tetrahedra and corners with three equivalent W(1)O5 trigonal bipyramids. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), and three equivalent O(4) atoms to form distorted WO5 trigonal bipyramids that share corners with three equivalent Zr(1)O6 octahedra and  a cornercorner with one W(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 24°. In the second W site, W(2) is bonded to one O(2) and three equivalent O(3) atoms to form WO4 tetrahedra that share corners with three equivalent Zr(1)O6 octahedra and  a cornercorner with one W(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 7°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one W(1) atom. In the second O site, O(2) is bonded in a linear geometry to one W(1) and one W(2) atom. In the third O site, O(3) is bonded in a linear geometry to one Zr(1) and one W(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Zr(1) and one W(1) atom. is represented by the CIF card [CIF]
data_Zr(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.364
_cell_length_b   9.364
_cell_length_c   9.364
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   821.170
_cell_formula_units_Z   4
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
  Zr  Zr0  1  0.002  0.002  0.002  1.0
  Zr  Zr1  1  0.498  0.998  0.502  1.0
  Zr  Zr2  1  0.502  0.498  0.998  1.0
  Zr  Zr3  1  0.998  0.502  0.498  1.0
  W  W4  1  0.655  0.845  0.155  1.0
  W  W5  1  0.845  0.155  0.655  1.0
  W  W6  1  0.155  0.655  0.845  1.0
  W  W7  1  0.345  0.345  0.345  1.0
  W  W8  1  0.599  0.599  0.599  1.0
  W  W9  1  0.901  0.401  0.099  1.0
  W  W10  1  0.099  0.901  0.401  1.0
  W  W11  1  0.401  0.099  0.901  1.0
  O  O12  1  0.763  0.737  0.263  1.0
  O  O13  1  0.737  0.263  0.763  1.0
  O  O14  1  0.263  0.763  0.737  1.0
  O  O15  1  0.237  0.237  0.237  1.0
  O  O16  1  0.511  0.989  0.011  1.0
  O  O17  1  0.989  0.011  0.511  1.0
  O  O18  1  0.011  0.511  0.989  1.0
  O  O19  1  0.489  0.489  0.489  1.0
  O  O20  1  0.714  0.433  0.055  1.0
  O  O21  1  0.214  0.067  0.945  1.0
  O  O22  1  0.286  0.933  0.445  1.0
  O  O23  1  0.067  0.945  0.214  1.0
  O  O24  1  0.205  0.441  0.447  1.0
  O  O25  1  0.447  0.205  0.441  1.0
  O  O26  1  0.441  0.447  0.205  1.0
  O  O27  1  0.059  0.553  0.705  1.0
  O  O28  1  0.947  0.295  0.559  1.0
  O  O29  1  0.559  0.947  0.295  1.0
  O  O30  1  0.053  0.795  0.941  1.0
  O  O31  1  0.553  0.705  0.059  1.0
  O  O32  1  0.941  0.053  0.795  1.0
  O  O33  1  0.705  0.059  0.553  1.0
  O  O34  1  0.795  0.941  0.053  1.0
  O  O35  1  0.295  0.559  0.947  1.0
  O  O36  1  0.786  0.567  0.555  1.0
  O  O37  1  0.555  0.786  0.567  1.0
  O  O38  1  0.567  0.555  0.786  1.0
  O  O39  1  0.933  0.445  0.286  1.0
  O  O40  1  0.055  0.714  0.433  1.0
  O  O41  1  0.433  0.055  0.714  1.0
  O  O42  1  0.945  0.214  0.067  1.0
  O  O43  1  0.445  0.286  0.933  1.0
[/CIF]
.