The material described by Zr(PO4)2 crystallizes in the tetragonal I4_1cd space group. Zr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZrO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-28°. There are four inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one Zr(1) and one P(1) atom. In the second O site, O(3) is bonded in a bent 150 degrees geometry to one Zr(1) and one P(1) atom. In the third O site, O(4) is bonded in a single-bond geometry to one P(1) atom. In the fourth O site, O(1) is bonded in a linear geometry to one Zr(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.801
_cell_length_b   9.801
_cell_length_c   9.801
_cell_angle_alpha   108.264
_cell_angle_beta   108.264
_cell_angle_gamma   111.913
_symmetry_Int_Tables_number   1
_cell_volume   723.669
_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  0.746  0.246  0.500  1.0
  Zr  Zr1  1  0.246  0.746  0.500  1.0
  Zr  Zr2  1  0.496  0.496  0.000  1.0
  Zr  Zr3  1  0.996  0.996  0.000  1.0
  P  P4  1  0.533  0.188  0.739  1.0
  P  P5  1  0.949  0.688  0.655  1.0
  P  P6  1  0.438  0.199  0.155  1.0
  P  P7  1  0.938  0.783  0.239  1.0
  P  P8  1  0.449  0.794  0.261  1.0
  P  P9  1  0.033  0.294  0.345  1.0
  P  P10  1  0.044  0.283  0.845  1.0
  P  P11  1  0.544  0.699  0.761  1.0
  O  O12  1  0.620  0.236  0.640  1.0
  O  O13  1  0.096  0.736  0.616  1.0
  O  O14  1  0.486  0.346  0.116  1.0
  O  O15  1  0.986  0.870  0.140  1.0
  O  O16  1  0.596  0.980  0.360  1.0
  O  O17  1  0.120  0.480  0.384  1.0
  O  O18  1  0.230  0.370  0.884  1.0
  O  O19  1  0.730  0.846  0.860  1.0
  O  O20  1  0.926  0.233  0.669  1.0
  O  O21  1  0.064  0.733  0.307  1.0
  O  O22  1  0.483  0.314  0.807  1.0
  O  O23  1  0.983  0.176  0.169  1.0
  O  O24  1  0.564  0.257  0.331  1.0
  O  O25  1  0.426  0.757  0.693  1.0
  O  O26  1  0.507  0.676  0.193  1.0
  O  O27  1  0.007  0.814  0.831  1.0
  O  O28  1  0.876  0.248  0.366  1.0
  O  O29  1  0.382  0.748  0.373  1.0
  O  O30  1  0.498  0.632  0.873  1.0
  O  O31  1  0.998  0.126  0.866  1.0
  O  O32  1  0.882  0.509  0.634  1.0
  O  O33  1  0.376  0.009  0.627  1.0
  O  O34  1  0.759  0.626  0.127  1.0
  O  O35  1  0.259  0.132  0.134  1.0
  O  O36  1  0.671  0.200  0.881  1.0
  O  O37  1  0.818  0.700  0.529  1.0
  O  O38  1  0.450  0.068  0.029  1.0
  O  O39  1  0.950  0.921  0.381  1.0
  O  O40  1  0.318  0.790  0.119  1.0
  O  O41  1  0.171  0.290  0.471  1.0
  O  O42  1  0.040  0.421  0.971  1.0
  O  O43  1  0.540  0.568  0.619  1.0
[/CIF]
.
The material described by Zr(PO4)2 crystallizes in the tetragonal I4_1cd space group. Zr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZrO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-28°. There are four inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one Zr(1) and one P(1) atom. In the second O site, O(3) is bonded in a bent 150 degrees geometry to one Zr(1) and one P(1) atom. In the third O site, O(4) is bonded in a single-bond geometry to one P(1) atom. In the fourth O site, O(1) is bonded in a linear geometry to one Zr(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.801
_cell_length_b   9.801
_cell_length_c   9.801
_cell_angle_alpha   108.264
_cell_angle_beta   108.264
_cell_angle_gamma   111.913
_symmetry_Int_Tables_number   1
_cell_volume   723.669
_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  0.746  0.246  0.500  1.0
  Zr  Zr1  1  0.246  0.746  0.500  1.0
  Zr  Zr2  1  0.496  0.496  0.000  1.0
  Zr  Zr3  1  0.996  0.996  0.000  1.0
  P  P4  1  0.533  0.188  0.739  1.0
  P  P5  1  0.949  0.688  0.655  1.0
  P  P6  1  0.438  0.199  0.155  1.0
  P  P7  1  0.938  0.783  0.239  1.0
  P  P8  1  0.449  0.794  0.261  1.0
  P  P9  1  0.033  0.294  0.345  1.0
  P  P10  1  0.044  0.283  0.845  1.0
  P  P11  1  0.544  0.699  0.761  1.0
  O  O12  1  0.620  0.236  0.640  1.0
  O  O13  1  0.096  0.736  0.616  1.0
  O  O14  1  0.486  0.346  0.116  1.0
  O  O15  1  0.986  0.870  0.140  1.0
  O  O16  1  0.596  0.980  0.360  1.0
  O  O17  1  0.120  0.480  0.384  1.0
  O  O18  1  0.230  0.370  0.884  1.0
  O  O19  1  0.730  0.846  0.860  1.0
  O  O20  1  0.926  0.233  0.669  1.0
  O  O21  1  0.064  0.733  0.307  1.0
  O  O22  1  0.483  0.314  0.807  1.0
  O  O23  1  0.983  0.176  0.169  1.0
  O  O24  1  0.564  0.257  0.331  1.0
  O  O25  1  0.426  0.757  0.693  1.0
  O  O26  1  0.507  0.676  0.193  1.0
  O  O27  1  0.007  0.814  0.831  1.0
  O  O28  1  0.876  0.248  0.366  1.0
  O  O29  1  0.382  0.748  0.373  1.0
  O  O30  1  0.498  0.632  0.873  1.0
  O  O31  1  0.998  0.126  0.866  1.0
  O  O32  1  0.882  0.509  0.634  1.0
  O  O33  1  0.376  0.009  0.627  1.0
  O  O34  1  0.759  0.626  0.127  1.0
  O  O35  1  0.259  0.132  0.134  1.0
  O  O36  1  0.671  0.200  0.881  1.0
  O  O37  1  0.818  0.700  0.529  1.0
  O  O38  1  0.450  0.068  0.029  1.0
  O  O39  1  0.950  0.921  0.381  1.0
  O  O40  1  0.318  0.790  0.119  1.0
  O  O41  1  0.171  0.290  0.471  1.0
  O  O42  1  0.040  0.421  0.971  1.0
  O  O43  1  0.540  0.568  0.619  1.0
[/CIF]
.