The compound described by Ca3Zn2(CuP2)2 crystallizes in the trigonal P-3m1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 9-coordinate geometry to three equivalent Cu(1), three equivalent P(1), and three equivalent P(2) atoms. In the second Ca site, Ca(2) is bonded to six equivalent Cu(1) and six equivalent P(1) atoms to form face-sharing CaCu6P6 cuboctahedra. Cu(1) is bonded in a 9-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), and three equivalent P(1) atoms. Zn(1) is bonded to four equivalent P(2) atoms to form a mixture of corner and edge-sharing ZnP4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), and three equivalent Cu(1) atoms. In the second P site, P(2) is bonded to three equivalent Ca(1) and four equivalent Zn(1) atoms to form distorted edge-sharing PCa3Zn4 pentagonal bipyramids. is represented by the CIF card [CIF]
data_Ca3Zn2(CuP2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.042
_cell_length_b   4.042
_cell_length_c   14.711
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   208.168
_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
  Ca  Ca0  1  0.000  0.000  0.732  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  Ca  Ca2  1  0.000  0.000  0.268  1.0
  Zn  Zn3  1  0.333  0.667  0.438  1.0
  Zn  Zn4  1  0.667  0.333  0.562  1.0
  Cu  Cu5  1  0.333  0.667  0.865  1.0
  Cu  Cu6  1  0.667  0.333  0.135  1.0
  P  P7  1  0.333  0.667  0.134  1.0
  P  P8  1  0.667  0.333  0.866  1.0
  P  P9  1  0.333  0.667  0.611  1.0
  P  P10  1  0.667  0.333  0.389  1.0
[/CIF]
.
The compound described by Ca3Zn2(CuP2)2 crystallizes in the trigonal P-3m1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 9-coordinate geometry to three equivalent Cu(1), three equivalent P(1), and three equivalent P(2) atoms. In the second Ca site, Ca(2) is bonded to six equivalent Cu(1) and six equivalent P(1) atoms to form face-sharing CaCu6P6 cuboctahedra. Cu(1) is bonded in a 9-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), and three equivalent P(1) atoms. Zn(1) is bonded to four equivalent P(2) atoms to form a mixture of corner and edge-sharing ZnP4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to three equivalent Ca(1), three equivalent Ca(2), and three equivalent Cu(1) atoms. In the second P site, P(2) is bonded to three equivalent Ca(1) and four equivalent Zn(1) atoms to form distorted edge-sharing PCa3Zn4 pentagonal bipyramids. is represented by the CIF card [CIF]
data_Ca3Zn2(CuP2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.042
_cell_length_b   4.042
_cell_length_c   14.711
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   208.168
_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
  Ca  Ca0  1  0.000  0.000  0.732  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  Ca  Ca2  1  0.000  0.000  0.268  1.0
  Zn  Zn3  1  0.333  0.667  0.438  1.0
  Zn  Zn4  1  0.667  0.333  0.562  1.0
  Cu  Cu5  1  0.333  0.667  0.865  1.0
  Cu  Cu6  1  0.667  0.333  0.135  1.0
  P  P7  1  0.333  0.667  0.134  1.0
  P  P8  1  0.667  0.333  0.866  1.0
  P  P9  1  0.333  0.667  0.611  1.0
  P  P10  1  0.667  0.333  0.389  1.0
[/CIF]
.