The structure described by TiSn(PO4)2 crystallizes in the monoclinic P2_1/m space group. Ti(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form distorted TiO6 pentagonal pyramids that share corners with four equivalent Sn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-59°. Sn(1) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form distorted SnO6 octahedra that share corners with four equivalent Ti(1)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with three equivalent Ti(1)O6 pentagonal pyramids, and  an edgeedge with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second P site, P(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with three equivalent Sn(1)O6 octahedra,  a cornercorner with one Ti(1)O6 pentagonal pyramid, and  an edgeedge with one Ti(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 24-71°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Sn(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ti(1), one Sn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ti(1), one Sn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Ti(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Sn(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiSn(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.238
_cell_length_b   5.071
_cell_length_c   10.934
_cell_angle_alpha   88.316
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   345.700
_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
  Ti  Ti0  1  0.250  0.567  0.795  1.0
  Ti  Ti1  1  0.750  0.433  0.205  1.0
  Sn  Sn2  1  0.750  0.036  0.725  1.0
  Sn  Sn3  1  0.250  0.964  0.275  1.0
  P  P4  1  0.750  0.551  0.912  1.0
  P  P5  1  0.250  0.163  0.632  1.0
  P  P6  1  0.750  0.837  0.368  1.0
  P  P7  1  0.250  0.449  0.088  1.0
  O  O8  1  0.250  0.379  0.950  1.0
  O  O9  1  0.750  0.254  0.898  1.0
  O  O10  1  0.949  0.691  0.849  1.0
  O  O11  1  0.551  0.691  0.849  1.0
  O  O12  1  0.064  0.324  0.695  1.0
  O  O13  1  0.436  0.324  0.695  1.0
  O  O14  1  0.250  0.875  0.690  1.0
  O  O15  1  0.750  0.833  0.504  1.0
  O  O16  1  0.250  0.167  0.496  1.0
  O  O17  1  0.750  0.125  0.310  1.0
  O  O18  1  0.936  0.676  0.305  1.0
  O  O19  1  0.564  0.676  0.305  1.0
  O  O20  1  0.449  0.309  0.151  1.0
  O  O21  1  0.051  0.309  0.151  1.0
  O  O22  1  0.250  0.746  0.102  1.0
  O  O23  1  0.750  0.621  0.050  1.0
[/CIF]
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The structure described by TiSn(PO4)2 crystallizes in the monoclinic P2_1/m space group. Ti(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form distorted TiO6 pentagonal pyramids that share corners with four equivalent Sn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-59°. Sn(1) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form distorted SnO6 octahedra that share corners with four equivalent Ti(1)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with three equivalent Ti(1)O6 pentagonal pyramids, and  an edgeedge with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second P site, P(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with three equivalent Sn(1)O6 octahedra,  a cornercorner with one Ti(1)O6 pentagonal pyramid, and  an edgeedge with one Ti(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 24-71°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Sn(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ti(1), one Sn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ti(1), one Sn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Ti(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Sn(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiSn(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.238
_cell_length_b   5.071
_cell_length_c   10.934
_cell_angle_alpha   88.316
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   345.700
_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
  Ti  Ti0  1  0.250  0.567  0.795  1.0
  Ti  Ti1  1  0.750  0.433  0.205  1.0
  Sn  Sn2  1  0.750  0.036  0.725  1.0
  Sn  Sn3  1  0.250  0.964  0.275  1.0
  P  P4  1  0.750  0.551  0.912  1.0
  P  P5  1  0.250  0.163  0.632  1.0
  P  P6  1  0.750  0.837  0.368  1.0
  P  P7  1  0.250  0.449  0.088  1.0
  O  O8  1  0.250  0.379  0.950  1.0
  O  O9  1  0.750  0.254  0.898  1.0
  O  O10  1  0.949  0.691  0.849  1.0
  O  O11  1  0.551  0.691  0.849  1.0
  O  O12  1  0.064  0.324  0.695  1.0
  O  O13  1  0.436  0.324  0.695  1.0
  O  O14  1  0.250  0.875  0.690  1.0
  O  O15  1  0.750  0.833  0.504  1.0
  O  O16  1  0.250  0.167  0.496  1.0
  O  O17  1  0.750  0.125  0.310  1.0
  O  O18  1  0.936  0.676  0.305  1.0
  O  O19  1  0.564  0.676  0.305  1.0
  O  O20  1  0.449  0.309  0.151  1.0
  O  O21  1  0.051  0.309  0.151  1.0
  O  O22  1  0.250  0.746  0.102  1.0
  O  O23  1  0.750  0.621  0.050  1.0
[/CIF]
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