The compound described by Ti2Zn(PO4)2 crystallizes in the monoclinic C2/c space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted TiO5 square pyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Ti(3)O6 octahedra. In the second Ti site, Ti(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted TiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Ti(1)O5 square pyramids. In the third Ti site, Ti(3) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms to form distorted TiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent Ti(1)O5 square pyramids. Zn(1) is bonded in a distorted T-shaped geometry to one O(1) and two equivalent O(8) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, and corners with two equivalent Ti(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 43-58°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, and corners with three equivalent Ti(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 26-47°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(2), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ti(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(3), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti2Zn(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.890
_cell_length_b   8.890
_cell_length_c   16.772
_cell_angle_alpha   64.311
_cell_angle_beta   64.311
_cell_angle_gamma   33.636
_symmetry_Int_Tables_number   1
_cell_volume   654.669
_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
  Ti  Ti0  1  0.212  0.613  0.957  1.0
  Ti  Ti1  1  0.387  0.788  0.543  1.0
  Ti  Ti2  1  0.788  0.387  0.043  1.0
  Ti  Ti3  1  0.500  0.000  0.000  1.0
  Ti  Ti4  1  0.613  0.212  0.457  1.0
  Ti  Ti5  1  0.685  0.315  0.250  1.0
  Ti  Ti6  1  0.315  0.685  0.750  1.0
  Ti  Ti7  1  0.000  0.500  0.500  1.0
  Zn  Zn8  1  0.489  0.859  0.836  1.0
  Zn  Zn9  1  0.141  0.511  0.664  1.0
  Zn  Zn10  1  0.859  0.489  0.336  1.0
  Zn  Zn11  1  0.511  0.141  0.164  1.0
  P  P12  1  0.043  0.510  0.869  1.0
  P  P13  1  0.768  0.208  0.617  1.0
  P  P14  1  0.957  0.490  0.131  1.0
  P  P15  1  0.208  0.768  0.117  1.0
  P  P16  1  0.510  0.043  0.369  1.0
  P  P17  1  0.490  0.957  0.631  1.0
  P  P18  1  0.232  0.792  0.383  1.0
  P  P19  1  0.792  0.232  0.883  1.0
  O  O20  1  0.703  0.808  0.107  1.0
  O  O21  1  0.827  0.298  0.939  1.0
  O  O22  1  0.808  0.703  0.607  1.0
  O  O23  1  0.791  0.385  0.557  1.0
  O  O24  1  0.190  0.372  0.048  1.0
  O  O25  1  0.548  0.348  0.699  1.0
  O  O26  1  0.615  0.209  0.943  1.0
  O  O27  1  0.915  0.058  0.146  1.0
  O  O28  1  0.209  0.615  0.443  1.0
  O  O29  1  0.702  0.173  0.561  1.0
  O  O30  1  0.881  0.372  0.146  1.0
  O  O31  1  0.614  0.918  0.289  1.0
  O  O32  1  0.173  0.702  0.061  1.0
  O  O33  1  0.058  0.915  0.646  1.0
  O  O34  1  0.297  0.192  0.893  1.0
  O  O35  1  0.119  0.628  0.854  1.0
  O  O36  1  0.918  0.614  0.789  1.0
  O  O37  1  0.385  0.791  0.057  1.0
  O  O38  1  0.372  0.881  0.646  1.0
  O  O39  1  0.386  0.082  0.711  1.0
  O  O40  1  0.942  0.085  0.354  1.0
  O  O41  1  0.372  0.190  0.548  1.0
  O  O42  1  0.085  0.942  0.854  1.0
  O  O43  1  0.348  0.548  0.199  1.0
  O  O44  1  0.298  0.827  0.439  1.0
  O  O45  1  0.192  0.297  0.393  1.0
  O  O46  1  0.082  0.386  0.211  1.0
  O  O47  1  0.628  0.810  0.452  1.0
  O  O48  1  0.810  0.628  0.952  1.0
  O  O49  1  0.652  0.452  0.801  1.0
  O  O50  1  0.452  0.652  0.301  1.0
  O  O51  1  0.628  0.119  0.354  1.0
[/CIF]
.
The compound described by Ti2Zn(PO4)2 crystallizes in the monoclinic C2/c space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted TiO5 square pyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Ti(3)O6 octahedra. In the second Ti site, Ti(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted TiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Ti(1)O5 square pyramids. In the third Ti site, Ti(3) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms to form distorted TiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent Ti(1)O5 square pyramids. Zn(1) is bonded in a distorted T-shaped geometry to one O(1) and two equivalent O(8) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, and corners with two equivalent Ti(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 43-58°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, and corners with three equivalent Ti(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 26-47°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(2), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ti(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(3), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ti2Zn(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.890
_cell_length_b   8.890
_cell_length_c   16.772
_cell_angle_alpha   64.311
_cell_angle_beta   64.311
_cell_angle_gamma   33.636
_symmetry_Int_Tables_number   1
_cell_volume   654.669
_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
  Ti  Ti0  1  0.212  0.613  0.957  1.0
  Ti  Ti1  1  0.387  0.788  0.543  1.0
  Ti  Ti2  1  0.788  0.387  0.043  1.0
  Ti  Ti3  1  0.500  0.000  0.000  1.0
  Ti  Ti4  1  0.613  0.212  0.457  1.0
  Ti  Ti5  1  0.685  0.315  0.250  1.0
  Ti  Ti6  1  0.315  0.685  0.750  1.0
  Ti  Ti7  1  0.000  0.500  0.500  1.0
  Zn  Zn8  1  0.489  0.859  0.836  1.0
  Zn  Zn9  1  0.141  0.511  0.664  1.0
  Zn  Zn10  1  0.859  0.489  0.336  1.0
  Zn  Zn11  1  0.511  0.141  0.164  1.0
  P  P12  1  0.043  0.510  0.869  1.0
  P  P13  1  0.768  0.208  0.617  1.0
  P  P14  1  0.957  0.490  0.131  1.0
  P  P15  1  0.208  0.768  0.117  1.0
  P  P16  1  0.510  0.043  0.369  1.0
  P  P17  1  0.490  0.957  0.631  1.0
  P  P18  1  0.232  0.792  0.383  1.0
  P  P19  1  0.792  0.232  0.883  1.0
  O  O20  1  0.703  0.808  0.107  1.0
  O  O21  1  0.827  0.298  0.939  1.0
  O  O22  1  0.808  0.703  0.607  1.0
  O  O23  1  0.791  0.385  0.557  1.0
  O  O24  1  0.190  0.372  0.048  1.0
  O  O25  1  0.548  0.348  0.699  1.0
  O  O26  1  0.615  0.209  0.943  1.0
  O  O27  1  0.915  0.058  0.146  1.0
  O  O28  1  0.209  0.615  0.443  1.0
  O  O29  1  0.702  0.173  0.561  1.0
  O  O30  1  0.881  0.372  0.146  1.0
  O  O31  1  0.614  0.918  0.289  1.0
  O  O32  1  0.173  0.702  0.061  1.0
  O  O33  1  0.058  0.915  0.646  1.0
  O  O34  1  0.297  0.192  0.893  1.0
  O  O35  1  0.119  0.628  0.854  1.0
  O  O36  1  0.918  0.614  0.789  1.0
  O  O37  1  0.385  0.791  0.057  1.0
  O  O38  1  0.372  0.881  0.646  1.0
  O  O39  1  0.386  0.082  0.711  1.0
  O  O40  1  0.942  0.085  0.354  1.0
  O  O41  1  0.372  0.190  0.548  1.0
  O  O42  1  0.085  0.942  0.854  1.0
  O  O43  1  0.348  0.548  0.199  1.0
  O  O44  1  0.298  0.827  0.439  1.0
  O  O45  1  0.192  0.297  0.393  1.0
  O  O46  1  0.082  0.386  0.211  1.0
  O  O47  1  0.628  0.810  0.452  1.0
  O  O48  1  0.810  0.628  0.952  1.0
  O  O49  1  0.652  0.452  0.801  1.0
  O  O50  1  0.452  0.652  0.301  1.0
  O  O51  1  0.628  0.119  0.354  1.0
[/CIF]
.