The material structure described by CaZn2(PO4)2 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(6), one O(7), one O(8), and two equivalent O(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3), one O(7), and two equivalent O(5) atoms to form distorted ZnO4 tetrahedra that share  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Zn(1)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(2), one O(3), one O(4), and one O(8) atom to form ZnO4 tetrahedra that share  a cornercorner with one Zn(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra and corners with two equivalent Zn(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra and corners with two equivalent Zn(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to two equivalent Ca(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ca(1), one Zn(2), and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one Zn(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one Zn(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ca(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ca(1), one Zn(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ca(1), one Zn(2), and one P(2) atom. is represented by the CIF card [CIF]
data_CaZn2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.043
_cell_length_b   8.537
_cell_length_c   9.088
_cell_angle_alpha   113.476
_cell_angle_beta   102.211
_cell_angle_gamma   94.096
_symmetry_Int_Tables_number   1
_cell_volume   345.408
_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
  Ca  Ca0  1  0.775  0.267  0.948  1.0
  Ca  Ca1  1  0.225  0.733  0.052  1.0
  Zn  Zn2  1  0.617  0.390  0.589  1.0
  Zn  Zn3  1  0.383  0.610  0.411  1.0
  Zn  Zn4  1  0.843  0.083  0.288  1.0
  Zn  Zn5  1  0.157  0.917  0.712  1.0
  P  P6  1  0.890  0.719  0.303  1.0
  P  P7  1  0.110  0.281  0.697  1.0
  P  P8  1  0.320  0.209  0.182  1.0
  P  P9  1  0.680  0.791  0.818  1.0
  O  O10  1  0.040  0.439  0.832  1.0
  O  O11  1  0.960  0.561  0.168  1.0
  O  O12  1  0.442  0.052  0.200  1.0
  O  O13  1  0.558  0.948  0.800  1.0
  O  O14  1  0.061  0.727  0.474  1.0
  O  O15  1  0.939  0.273  0.526  1.0
  O  O16  1  0.996  0.118  0.715  1.0
  O  O17  1  0.004  0.882  0.285  1.0
  O  O18  1  0.433  0.367  0.358  1.0
  O  O19  1  0.567  0.633  0.642  1.0
  O  O20  1  0.608  0.743  0.950  1.0
  O  O21  1  0.392  0.257  0.050  1.0
  O  O22  1  0.421  0.288  0.705  1.0
  O  O23  1  0.579  0.712  0.295  1.0
  O  O24  1  0.999  0.829  0.852  1.0
  O  O25  1  0.001  0.171  0.148  1.0
[/CIF]
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The material structure described by CaZn2(PO4)2 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(6), one O(7), one O(8), and two equivalent O(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3), one O(7), and two equivalent O(5) atoms to form distorted ZnO4 tetrahedra that share  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Zn(1)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(2), one O(3), one O(4), and one O(8) atom to form ZnO4 tetrahedra that share  a cornercorner with one Zn(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra and corners with two equivalent Zn(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra and corners with two equivalent Zn(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to two equivalent Ca(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ca(1), one Zn(2), and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one Zn(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one Zn(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ca(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ca(1), one Zn(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ca(1), one Zn(2), and one P(2) atom. is represented by the CIF card [CIF]
data_CaZn2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.043
_cell_length_b   8.537
_cell_length_c   9.088
_cell_angle_alpha   113.476
_cell_angle_beta   102.211
_cell_angle_gamma   94.096
_symmetry_Int_Tables_number   1
_cell_volume   345.408
_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
  Ca  Ca0  1  0.775  0.267  0.948  1.0
  Ca  Ca1  1  0.225  0.733  0.052  1.0
  Zn  Zn2  1  0.617  0.390  0.589  1.0
  Zn  Zn3  1  0.383  0.610  0.411  1.0
  Zn  Zn4  1  0.843  0.083  0.288  1.0
  Zn  Zn5  1  0.157  0.917  0.712  1.0
  P  P6  1  0.890  0.719  0.303  1.0
  P  P7  1  0.110  0.281  0.697  1.0
  P  P8  1  0.320  0.209  0.182  1.0
  P  P9  1  0.680  0.791  0.818  1.0
  O  O10  1  0.040  0.439  0.832  1.0
  O  O11  1  0.960  0.561  0.168  1.0
  O  O12  1  0.442  0.052  0.200  1.0
  O  O13  1  0.558  0.948  0.800  1.0
  O  O14  1  0.061  0.727  0.474  1.0
  O  O15  1  0.939  0.273  0.526  1.0
  O  O16  1  0.996  0.118  0.715  1.0
  O  O17  1  0.004  0.882  0.285  1.0
  O  O18  1  0.433  0.367  0.358  1.0
  O  O19  1  0.567  0.633  0.642  1.0
  O  O20  1  0.608  0.743  0.950  1.0
  O  O21  1  0.392  0.257  0.050  1.0
  O  O22  1  0.421  0.288  0.705  1.0
  O  O23  1  0.579  0.712  0.295  1.0
  O  O24  1  0.999  0.829  0.852  1.0
  O  O25  1  0.001  0.171  0.148  1.0
[/CIF]
.