The structure described by Cu3ZnP3O13 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(5), one O(6), one O(9), and two equivalent O(8) atoms to form distorted CuO6 pentagonal pyramids that share corners with two equivalent Cu(3)O6 octahedra,  a cornercorner with one Cu(2)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the second Cu site, Cu(2) is bonded to one O(1), one O(3), one O(7), and two equivalent O(2) atoms to form CuO5 square pyramids that share  a cornercorner with one Cu(1)O6 pentagonal pyramid,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. In the third Cu site, Cu(3) is bonded to two equivalent O(10), two equivalent O(4), and two equivalent O(6) atoms to form CuO6 octahedra that share corners with two equivalent Cu(1)O6 pentagonal pyramids, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and edges with two equivalent Cu(3)O6 octahedra. Zn(1) is bonded in a 7-coordinate geometry to one O(9), two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(7), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 pentagonal pyramid and corners with three equivalent Cu(2)O5 square pyramids. In the second P site, P(2) is bonded to one O(10), one O(3), and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Cu(3)O6 octahedra, corners with two equivalent Cu(1)O6 pentagonal pyramids, and  a cornercorner with one Cu(2)O5 square pyramid. The corner-sharing octahedral tilt angles are 54°. In the third P site, P(3) is bonded to one O(1), one O(9), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Cu(3)O6 octahedra,  a cornercorner with one Cu(2)O5 square pyramid, and  an edgeedge with one Cu(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 56°. There are ten inequivalent O sites. In the first O site, O(10) is bonded in a distorted trigonal planar geometry to two equivalent Cu(3) and one P(2) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one P(3) atom. In the third O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cu(2), one Zn(1), and one P(1) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one Cu(2) and one P(2) atom. In the fifth O site, O(4) is bonded in a trigonal planar geometry to one Cu(3), one Zn(1), and one P(3) atom. In the sixth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one P(1) atom. In the seventh O site, O(6) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent Cu(3) atoms. In the eighth O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Cu(2) and one P(1) atom. In the ninth O site, O(8) is bonded in a distorted trigonal planar geometry to one Cu(1), one Zn(1), and one P(2) atom. In the tenth O site, O(9) is bonded in a 3-coordinate geometry to one Cu(1), one Zn(1), and one P(3) atom. is represented by the CIF card [CIF]
data_ZnCu3P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.125
_cell_length_b   7.591
_cell_length_c   10.077
_cell_angle_alpha   79.287
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   460.340
_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
  Zn  Zn0  1  0.750  0.360  0.176  1.0
  Zn  Zn1  1  0.250  0.640  0.824  1.0
  Cu  Cu2  1  0.250  0.650  0.202  1.0
  Cu  Cu3  1  0.750  0.350  0.798  1.0
  Cu  Cu4  1  0.250  0.236  0.432  1.0
  Cu  Cu5  1  0.500  0.000  0.000  1.0
  Cu  Cu6  1  0.750  0.764  0.568  1.0
  Cu  Cu7  1  0.000  0.000  0.000  1.0
  P  P8  1  0.250  0.790  0.489  1.0
  P  P9  1  0.750  0.210  0.511  1.0
  P  P10  1  0.250  0.263  0.760  1.0
  P  P11  1  0.750  0.737  0.240  1.0
  P  P12  1  0.750  0.679  0.886  1.0
  P  P13  1  0.250  0.321  0.114  1.0
  O  O14  1  0.750  0.620  0.744  1.0
  O  O15  1  0.561  0.250  0.405  1.0
  O  O16  1  0.250  0.202  0.626  1.0
  O  O17  1  0.535  0.784  0.894  1.0
  O  O18  1  0.750  0.353  0.601  1.0
  O  O19  1  0.750  0.118  0.906  1.0
  O  O20  1  0.250  0.647  0.399  1.0
  O  O21  1  0.035  0.216  0.106  1.0
  O  O22  1  0.250  0.976  0.401  1.0
  O  O23  1  0.750  0.024  0.599  1.0
  O  O24  1  0.062  0.388  0.789  1.0
  O  O25  1  0.250  0.882  0.094  1.0
  O  O26  1  0.562  0.612  0.211  1.0
  O  O27  1  0.750  0.492  0.977  1.0
  O  O28  1  0.750  0.798  0.374  1.0
  O  O29  1  0.465  0.216  0.106  1.0
  O  O30  1  0.939  0.250  0.405  1.0
  O  O31  1  0.439  0.750  0.595  1.0
  O  O32  1  0.438  0.388  0.789  1.0
  O  O33  1  0.250  0.380  0.256  1.0
  O  O34  1  0.750  0.910  0.128  1.0
  O  O35  1  0.250  0.090  0.872  1.0
  O  O36  1  0.938  0.612  0.211  1.0
  O  O37  1  0.965  0.784  0.894  1.0
  O  O38  1  0.061  0.750  0.595  1.0
  O  O39  1  0.250  0.508  0.023  1.0
[/CIF]
.
The structure described by Cu3ZnP3O13 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(5), one O(6), one O(9), and two equivalent O(8) atoms to form distorted CuO6 pentagonal pyramids that share corners with two equivalent Cu(3)O6 octahedra,  a cornercorner with one Cu(2)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the second Cu site, Cu(2) is bonded to one O(1), one O(3), one O(7), and two equivalent O(2) atoms to form CuO5 square pyramids that share  a cornercorner with one Cu(1)O6 pentagonal pyramid,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. In the third Cu site, Cu(3) is bonded to two equivalent O(10), two equivalent O(4), and two equivalent O(6) atoms to form CuO6 octahedra that share corners with two equivalent Cu(1)O6 pentagonal pyramids, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and edges with two equivalent Cu(3)O6 octahedra. Zn(1) is bonded in a 7-coordinate geometry to one O(9), two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(7), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 pentagonal pyramid and corners with three equivalent Cu(2)O5 square pyramids. In the second P site, P(2) is bonded to one O(10), one O(3), and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Cu(3)O6 octahedra, corners with two equivalent Cu(1)O6 pentagonal pyramids, and  a cornercorner with one Cu(2)O5 square pyramid. The corner-sharing octahedral tilt angles are 54°. In the third P site, P(3) is bonded to one O(1), one O(9), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Cu(3)O6 octahedra,  a cornercorner with one Cu(2)O5 square pyramid, and  an edgeedge with one Cu(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 56°. There are ten inequivalent O sites. In the first O site, O(10) is bonded in a distorted trigonal planar geometry to two equivalent Cu(3) and one P(2) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one P(3) atom. In the third O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cu(2), one Zn(1), and one P(1) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one Cu(2) and one P(2) atom. In the fifth O site, O(4) is bonded in a trigonal planar geometry to one Cu(3), one Zn(1), and one P(3) atom. In the sixth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one P(1) atom. In the seventh O site, O(6) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent Cu(3) atoms. In the eighth O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Cu(2) and one P(1) atom. In the ninth O site, O(8) is bonded in a distorted trigonal planar geometry to one Cu(1), one Zn(1), and one P(2) atom. In the tenth O site, O(9) is bonded in a 3-coordinate geometry to one Cu(1), one Zn(1), and one P(3) atom. is represented by the CIF card [CIF]
data_ZnCu3P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.125
_cell_length_b   7.591
_cell_length_c   10.077
_cell_angle_alpha   79.287
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   460.340
_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
  Zn  Zn0  1  0.750  0.360  0.176  1.0
  Zn  Zn1  1  0.250  0.640  0.824  1.0
  Cu  Cu2  1  0.250  0.650  0.202  1.0
  Cu  Cu3  1  0.750  0.350  0.798  1.0
  Cu  Cu4  1  0.250  0.236  0.432  1.0
  Cu  Cu5  1  0.500  0.000  0.000  1.0
  Cu  Cu6  1  0.750  0.764  0.568  1.0
  Cu  Cu7  1  0.000  0.000  0.000  1.0
  P  P8  1  0.250  0.790  0.489  1.0
  P  P9  1  0.750  0.210  0.511  1.0
  P  P10  1  0.250  0.263  0.760  1.0
  P  P11  1  0.750  0.737  0.240  1.0
  P  P12  1  0.750  0.679  0.886  1.0
  P  P13  1  0.250  0.321  0.114  1.0
  O  O14  1  0.750  0.620  0.744  1.0
  O  O15  1  0.561  0.250  0.405  1.0
  O  O16  1  0.250  0.202  0.626  1.0
  O  O17  1  0.535  0.784  0.894  1.0
  O  O18  1  0.750  0.353  0.601  1.0
  O  O19  1  0.750  0.118  0.906  1.0
  O  O20  1  0.250  0.647  0.399  1.0
  O  O21  1  0.035  0.216  0.106  1.0
  O  O22  1  0.250  0.976  0.401  1.0
  O  O23  1  0.750  0.024  0.599  1.0
  O  O24  1  0.062  0.388  0.789  1.0
  O  O25  1  0.250  0.882  0.094  1.0
  O  O26  1  0.562  0.612  0.211  1.0
  O  O27  1  0.750  0.492  0.977  1.0
  O  O28  1  0.750  0.798  0.374  1.0
  O  O29  1  0.465  0.216  0.106  1.0
  O  O30  1  0.939  0.250  0.405  1.0
  O  O31  1  0.439  0.750  0.595  1.0
  O  O32  1  0.438  0.388  0.789  1.0
  O  O33  1  0.250  0.380  0.256  1.0
  O  O34  1  0.750  0.910  0.128  1.0
  O  O35  1  0.250  0.090  0.872  1.0
  O  O36  1  0.938  0.612  0.211  1.0
  O  O37  1  0.965  0.784  0.894  1.0
  O  O38  1  0.061  0.750  0.595  1.0
  O  O39  1  0.250  0.508  0.023  1.0
[/CIF]
.