The structure described by CaTi2Zn2(PO5)2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(3), one O(8), and one O(9) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one O(10), one O(3), one O(6), one O(8), and one O(9) atom. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 3-coordinate geometry to one O(1), one O(10), and one O(4) atom. In the second Zn site, Zn(2) is bonded in a 2-coordinate geometry to one O(2), one O(3), and one O(9) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-49°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(1), one Zn(2), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Ti(2), one Zn(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 Zn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ti(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ca(1), one Ti(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a tetrahedral geometry to one Ca(1), one Ti(1), one Ti(2), and one Zn(2) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Ti(1), one Ti(2), and one Zn(1) atom. is represented by the CIF file [CIF]
data_CaTi2Zn2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.518
_cell_length_b   7.521
_cell_length_c   9.431
_cell_angle_alpha   85.407
_cell_angle_beta   38.097
_cell_angle_gamma   103.954
_symmetry_Int_Tables_number   1
_cell_volume   209.198
_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  0.469  0.994  0.020  1.0
  Ti  Ti1  1  0.491  0.482  0.505  1.0
  Ti  Ti2  1  0.404  0.958  0.480  1.0
  Zn  Zn3  1  0.212  0.199  0.384  1.0
  Zn  Zn4  1  0.692  0.801  0.641  1.0
  P  P5  1  0.479  0.320  0.844  1.0
  P  P6  1  0.549  0.682  0.147  1.0
  O  O7  1  0.582  0.168  0.728  1.0
  O  O8  1  0.409  0.462  0.761  1.0
  O  O9  1  0.469  0.839  0.259  1.0
  O  O10  1  0.592  0.528  0.237  1.0
  O  O11  1  0.150  0.573  0.232  1.0
  O  O12  1  0.981  0.810  0.852  1.0
  O  O13  1  0.875  0.445  0.759  1.0
  O  O14  1  0.060  0.190  0.139  1.0
  O  O15  1  0.683  0.789  0.426  1.0
  O  O16  1  0.310  0.206  0.569  1.0
[/CIF]
.
The structure described by CaTi2Zn2(PO5)2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(3), one O(8), and one O(9) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one O(10), one O(3), one O(6), one O(8), and one O(9) atom. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 3-coordinate geometry to one O(1), one O(10), and one O(4) atom. In the second Zn site, Zn(2) is bonded in a 2-coordinate geometry to one O(2), one O(3), and one O(9) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-49°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(1), one Zn(2), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Ti(2), one Zn(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 Zn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ti(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ca(1), one Ti(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a tetrahedral geometry to one Ca(1), one Ti(1), one Ti(2), and one Zn(2) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Ti(1), one Ti(2), and one Zn(1) atom. is represented by the CIF file [CIF]
data_CaTi2Zn2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.518
_cell_length_b   7.521
_cell_length_c   9.431
_cell_angle_alpha   85.407
_cell_angle_beta   38.097
_cell_angle_gamma   103.954
_symmetry_Int_Tables_number   1
_cell_volume   209.198
_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  0.469  0.994  0.020  1.0
  Ti  Ti1  1  0.491  0.482  0.505  1.0
  Ti  Ti2  1  0.404  0.958  0.480  1.0
  Zn  Zn3  1  0.212  0.199  0.384  1.0
  Zn  Zn4  1  0.692  0.801  0.641  1.0
  P  P5  1  0.479  0.320  0.844  1.0
  P  P6  1  0.549  0.682  0.147  1.0
  O  O7  1  0.582  0.168  0.728  1.0
  O  O8  1  0.409  0.462  0.761  1.0
  O  O9  1  0.469  0.839  0.259  1.0
  O  O10  1  0.592  0.528  0.237  1.0
  O  O11  1  0.150  0.573  0.232  1.0
  O  O12  1  0.981  0.810  0.852  1.0
  O  O13  1  0.875  0.445  0.759  1.0
  O  O14  1  0.060  0.190  0.139  1.0
  O  O15  1  0.683  0.789  0.426  1.0
  O  O16  1  0.310  0.206  0.569  1.0
[/CIF]
.