The structure described by CuZnP2O7 crystallizes in the monoclinic C2 space group. Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. Zn(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. 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 Cu(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cu(1), one Zn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cu(1), one Zn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent P(1) atoms. is represented by the CIF file [CIF]
data_ZnCuP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.382
_cell_length_b   5.382
_cell_length_c   4.615
_cell_angle_alpha   78.333
_cell_angle_beta   78.333
_cell_angle_gamma   100.463
_symmetry_Int_Tables_number   1
_cell_volume   124.706
_cell_formula_units_Z   1
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
  Zn  Zn0  1  0.309  0.691  0.500  1.0
  Cu  Cu1  1  0.690  0.310  0.500  1.0
  P  P2  1  0.210  0.196  0.092  1.0
  P  P3  1  0.804  0.790  0.908  1.0
  O  O4  1  0.047  0.349  0.264  1.0
  O  O5  1  0.374  0.064  0.280  1.0
  O  O6  1  0.936  0.626  0.720  1.0
  O  O7  1  0.651  0.953  0.736  1.0
  O  O8  1  0.380  0.376  0.781  1.0
  O  O9  1  0.624  0.620  0.219  1.0
  O  O10  1  0.032  0.968  0.000  1.0
[/CIF]
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The structure described by CuZnP2O7 crystallizes in the monoclinic C2 space group. Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. Zn(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. 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 Cu(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cu(1), one Zn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cu(1), one Zn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent P(1) atoms. is represented by the CIF file [CIF]
data_ZnCuP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.382
_cell_length_b   5.382
_cell_length_c   4.615
_cell_angle_alpha   78.333
_cell_angle_beta   78.333
_cell_angle_gamma   100.463
_symmetry_Int_Tables_number   1
_cell_volume   124.706
_cell_formula_units_Z   1
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
  Zn  Zn0  1  0.309  0.691  0.500  1.0
  Cu  Cu1  1  0.690  0.310  0.500  1.0
  P  P2  1  0.210  0.196  0.092  1.0
  P  P3  1  0.804  0.790  0.908  1.0
  O  O4  1  0.047  0.349  0.264  1.0
  O  O5  1  0.374  0.064  0.280  1.0
  O  O6  1  0.936  0.626  0.720  1.0
  O  O7  1  0.651  0.953  0.736  1.0
  O  O8  1  0.380  0.376  0.781  1.0
  O  O9  1  0.624  0.620  0.219  1.0
  O  O10  1  0.032  0.968  0.000  1.0
[/CIF]
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