The material described by Cu2Zn(PO4)2 crystallizes in the monoclinic C2/c space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(6), and one O(7) atom. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to two equivalent O(5) and two equivalent O(7) atoms. Zn(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(6), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(4), one O(7), and one O(8) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(5), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(2), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Zn(1), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cu(1), one Zn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Cu(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cu(1), one Zn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Zn(1) and one P(1) atom. is represented by the CIF card [CIF]
data_ZnCu2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.156
_cell_length_b   9.156
_cell_length_c   15.834
_cell_angle_alpha   60.524
_cell_angle_beta   60.524
_cell_angle_gamma   32.205
_symmetry_Int_Tables_number   1
_cell_volume   607.642
_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
  Zn  Zn0  1  0.164  0.566  0.124  1.0
  Zn  Zn1  1  0.434  0.836  0.376  1.0
  Zn  Zn2  1  0.566  0.164  0.624  1.0
  Zn  Zn3  1  0.836  0.434  0.876  1.0
  Cu  Cu4  1  0.365  0.837  0.032  1.0
  Cu  Cu5  1  0.163  0.635  0.468  1.0
  Cu  Cu6  1  0.635  0.163  0.968  1.0
  Cu  Cu7  1  0.000  0.500  0.000  1.0
  Cu  Cu8  1  0.837  0.365  0.532  1.0
  Cu  Cu9  1  0.646  0.354  0.750  1.0
  Cu  Cu10  1  0.354  0.646  0.250  1.0
  Cu  Cu11  1  0.500  0.000  0.500  1.0
  P  P12  1  0.493  0.926  0.141  1.0
  P  P13  1  0.810  0.224  0.393  1.0
  P  P14  1  0.507  0.074  0.859  1.0
  P  P15  1  0.224  0.810  0.893  1.0
  P  P16  1  0.926  0.493  0.641  1.0
  P  P17  1  0.074  0.507  0.359  1.0
  P  P18  1  0.190  0.776  0.607  1.0
  P  P19  1  0.776  0.190  0.107  1.0
  O  O20  1  0.188  0.318  0.893  1.0
  O  O21  1  0.611  0.211  0.082  1.0
  O  O22  1  0.318  0.188  0.393  1.0
  O  O23  1  0.652  0.190  0.476  1.0
  O  O24  1  0.640  0.812  0.942  1.0
  O  O25  1  0.696  0.390  0.298  1.0
  O  O26  1  0.810  0.348  0.024  1.0
  O  O27  1  0.918  0.125  0.884  1.0
  O  O28  1  0.348  0.810  0.524  1.0
  O  O29  1  0.789  0.389  0.418  1.0
  O  O30  1  0.633  0.132  0.855  1.0
  O  O31  1  0.986  0.419  0.738  1.0
  O  O32  1  0.389  0.789  0.918  1.0
  O  O33  1  0.125  0.918  0.384  1.0
  O  O34  1  0.812  0.682  0.107  1.0
  O  O35  1  0.367  0.868  0.145  1.0
  O  O36  1  0.419  0.986  0.238  1.0
  O  O37  1  0.190  0.652  0.976  1.0
  O  O38  1  0.132  0.633  0.355  1.0
  O  O39  1  0.014  0.581  0.262  1.0
  O  O40  1  0.875  0.082  0.616  1.0
  O  O41  1  0.812  0.640  0.442  1.0
  O  O42  1  0.082  0.875  0.116  1.0
  O  O43  1  0.390  0.696  0.798  1.0
  O  O44  1  0.211  0.611  0.582  1.0
  O  O45  1  0.682  0.812  0.607  1.0
  O  O46  1  0.581  0.014  0.762  1.0
  O  O47  1  0.188  0.360  0.558  1.0
  O  O48  1  0.360  0.188  0.058  1.0
  O  O49  1  0.610  0.304  0.202  1.0
  O  O50  1  0.304  0.610  0.702  1.0
  O  O51  1  0.868  0.367  0.645  1.0
[/CIF]
.
The material described by Cu2Zn(PO4)2 crystallizes in the monoclinic C2/c space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(6), and one O(7) atom. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to two equivalent O(5) and two equivalent O(7) atoms. Zn(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(6), and one O(8) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(4), one O(7), and one O(8) atom. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(5), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(2), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Zn(1), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cu(1), one Zn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Cu(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cu(1), one Zn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Zn(1) and one P(1) atom. is represented by the CIF card [CIF]
data_ZnCu2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.156
_cell_length_b   9.156
_cell_length_c   15.834
_cell_angle_alpha   60.524
_cell_angle_beta   60.524
_cell_angle_gamma   32.205
_symmetry_Int_Tables_number   1
_cell_volume   607.642
_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
  Zn  Zn0  1  0.164  0.566  0.124  1.0
  Zn  Zn1  1  0.434  0.836  0.376  1.0
  Zn  Zn2  1  0.566  0.164  0.624  1.0
  Zn  Zn3  1  0.836  0.434  0.876  1.0
  Cu  Cu4  1  0.365  0.837  0.032  1.0
  Cu  Cu5  1  0.163  0.635  0.468  1.0
  Cu  Cu6  1  0.635  0.163  0.968  1.0
  Cu  Cu7  1  0.000  0.500  0.000  1.0
  Cu  Cu8  1  0.837  0.365  0.532  1.0
  Cu  Cu9  1  0.646  0.354  0.750  1.0
  Cu  Cu10  1  0.354  0.646  0.250  1.0
  Cu  Cu11  1  0.500  0.000  0.500  1.0
  P  P12  1  0.493  0.926  0.141  1.0
  P  P13  1  0.810  0.224  0.393  1.0
  P  P14  1  0.507  0.074  0.859  1.0
  P  P15  1  0.224  0.810  0.893  1.0
  P  P16  1  0.926  0.493  0.641  1.0
  P  P17  1  0.074  0.507  0.359  1.0
  P  P18  1  0.190  0.776  0.607  1.0
  P  P19  1  0.776  0.190  0.107  1.0
  O  O20  1  0.188  0.318  0.893  1.0
  O  O21  1  0.611  0.211  0.082  1.0
  O  O22  1  0.318  0.188  0.393  1.0
  O  O23  1  0.652  0.190  0.476  1.0
  O  O24  1  0.640  0.812  0.942  1.0
  O  O25  1  0.696  0.390  0.298  1.0
  O  O26  1  0.810  0.348  0.024  1.0
  O  O27  1  0.918  0.125  0.884  1.0
  O  O28  1  0.348  0.810  0.524  1.0
  O  O29  1  0.789  0.389  0.418  1.0
  O  O30  1  0.633  0.132  0.855  1.0
  O  O31  1  0.986  0.419  0.738  1.0
  O  O32  1  0.389  0.789  0.918  1.0
  O  O33  1  0.125  0.918  0.384  1.0
  O  O34  1  0.812  0.682  0.107  1.0
  O  O35  1  0.367  0.868  0.145  1.0
  O  O36  1  0.419  0.986  0.238  1.0
  O  O37  1  0.190  0.652  0.976  1.0
  O  O38  1  0.132  0.633  0.355  1.0
  O  O39  1  0.014  0.581  0.262  1.0
  O  O40  1  0.875  0.082  0.616  1.0
  O  O41  1  0.812  0.640  0.442  1.0
  O  O42  1  0.082  0.875  0.116  1.0
  O  O43  1  0.390  0.696  0.798  1.0
  O  O44  1  0.211  0.611  0.582  1.0
  O  O45  1  0.682  0.812  0.607  1.0
  O  O46  1  0.581  0.014  0.762  1.0
  O  O47  1  0.188  0.360  0.558  1.0
  O  O48  1  0.360  0.188  0.058  1.0
  O  O49  1  0.610  0.304  0.202  1.0
  O  O50  1  0.304  0.610  0.702  1.0
  O  O51  1  0.868  0.367  0.645  1.0
[/CIF]
.