The compound described by Zr2O(PO4)2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one O(4), one O(6), two equivalent O(2), and two equivalent O(7) atoms to form ZrO6 octahedra that share  a cornercorner with one Zr(2)O7 pentagonal bipyramid,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Zr(1)O6 octahedra, and  an edgeedge with one Zr(2)O7 pentagonal bipyramid. In the second Zr site, Zr(2) is bonded to one O(4), one O(5), one O(7), two equivalent O(1), and two equivalent O(3) atoms to form ZrO7 pentagonal bipyramids that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Zr(1)O6 octahedra,  an edgeedge with one Zr(2)O7 pentagonal bipyramid, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 36°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with three equivalent Zr(1)O6 octahedra,  a cornercorner with one Zr(2)O7 pentagonal bipyramid, and  an edgeedge with one Zr(2)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 24-28°. In the second P site, P(2) is bonded to one O(5), one O(6), and two equivalent O(1) atoms to form PO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra and corners with three equivalent Zr(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Zr(2) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Zr(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Zr(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Zr(1), one Zr(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Zr(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Zr(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Zr(2) and two equivalent Zr(1) atoms. is represented by the CIF file [CIF]
data_Zr2P2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.634
_cell_length_b   7.634
_cell_length_c   10.119
_cell_angle_alpha   53.270
_cell_angle_beta   53.270
_cell_angle_gamma   51.392
_symmetry_Int_Tables_number   1
_cell_volume   344.718
_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
  Zr  Zr0  1  0.057  0.057  0.098  1.0
  Zr  Zr1  1  0.943  0.943  0.902  1.0
  Zr  Zr2  1  0.684  0.684  0.365  1.0
  Zr  Zr3  1  0.316  0.316  0.635  1.0
  P  P4  1  0.593  0.593  0.165  1.0
  P  P5  1  0.830  0.830  0.543  1.0
  P  P6  1  0.407  0.407  0.835  1.0
  P  P7  1  0.170  0.170  0.457  1.0
  O  O8  1  0.626  0.004  0.641  1.0
  O  O9  1  0.618  0.242  0.895  1.0
  O  O10  1  0.484  0.484  0.634  1.0
  O  O11  1  0.382  0.758  0.105  1.0
  O  O12  1  0.004  0.626  0.641  1.0
  O  O13  1  0.374  0.996  0.359  1.0
  O  O14  1  0.732  0.732  0.097  1.0
  O  O15  1  0.268  0.268  0.903  1.0
  O  O16  1  0.516  0.516  0.366  1.0
  O  O17  1  0.273  0.273  0.475  1.0
  O  O18  1  0.965  0.965  0.358  1.0
  O  O19  1  0.035  0.035  0.642  1.0
  O  O20  1  0.114  0.114  0.844  1.0
  O  O21  1  0.996  0.374  0.359  1.0
  O  O22  1  0.758  0.382  0.105  1.0
  O  O23  1  0.727  0.727  0.525  1.0
  O  O24  1  0.242  0.618  0.895  1.0
  O  O25  1  0.886  0.886  0.156  1.0
[/CIF]
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The compound described by Zr2O(PO4)2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one O(4), one O(6), two equivalent O(2), and two equivalent O(7) atoms to form ZrO6 octahedra that share  a cornercorner with one Zr(2)O7 pentagonal bipyramid,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Zr(1)O6 octahedra, and  an edgeedge with one Zr(2)O7 pentagonal bipyramid. In the second Zr site, Zr(2) is bonded to one O(4), one O(5), one O(7), two equivalent O(1), and two equivalent O(3) atoms to form ZrO7 pentagonal bipyramids that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Zr(1)O6 octahedra,  an edgeedge with one Zr(2)O7 pentagonal bipyramid, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 36°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with three equivalent Zr(1)O6 octahedra,  a cornercorner with one Zr(2)O7 pentagonal bipyramid, and  an edgeedge with one Zr(2)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 24-28°. In the second P site, P(2) is bonded to one O(5), one O(6), and two equivalent O(1) atoms to form PO4 tetrahedra that share  a cornercorner with one Zr(1)O6 octahedra and corners with three equivalent Zr(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Zr(2) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Zr(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Zr(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Zr(1), one Zr(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Zr(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Zr(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Zr(2) and two equivalent Zr(1) atoms. is represented by the CIF file [CIF]
data_Zr2P2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.634
_cell_length_b   7.634
_cell_length_c   10.119
_cell_angle_alpha   53.270
_cell_angle_beta   53.270
_cell_angle_gamma   51.392
_symmetry_Int_Tables_number   1
_cell_volume   344.718
_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
  Zr  Zr0  1  0.057  0.057  0.098  1.0
  Zr  Zr1  1  0.943  0.943  0.902  1.0
  Zr  Zr2  1  0.684  0.684  0.365  1.0
  Zr  Zr3  1  0.316  0.316  0.635  1.0
  P  P4  1  0.593  0.593  0.165  1.0
  P  P5  1  0.830  0.830  0.543  1.0
  P  P6  1  0.407  0.407  0.835  1.0
  P  P7  1  0.170  0.170  0.457  1.0
  O  O8  1  0.626  0.004  0.641  1.0
  O  O9  1  0.618  0.242  0.895  1.0
  O  O10  1  0.484  0.484  0.634  1.0
  O  O11  1  0.382  0.758  0.105  1.0
  O  O12  1  0.004  0.626  0.641  1.0
  O  O13  1  0.374  0.996  0.359  1.0
  O  O14  1  0.732  0.732  0.097  1.0
  O  O15  1  0.268  0.268  0.903  1.0
  O  O16  1  0.516  0.516  0.366  1.0
  O  O17  1  0.273  0.273  0.475  1.0
  O  O18  1  0.965  0.965  0.358  1.0
  O  O19  1  0.035  0.035  0.642  1.0
  O  O20  1  0.114  0.114  0.844  1.0
  O  O21  1  0.996  0.374  0.359  1.0
  O  O22  1  0.758  0.382  0.105  1.0
  O  O23  1  0.727  0.727  0.525  1.0
  O  O24  1  0.242  0.618  0.895  1.0
  O  O25  1  0.886  0.886  0.156  1.0
[/CIF]
.