The material described by SrTi(PO4)2 crystallizes in the monoclinic C2/c space group. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms to form distorted SrO8 hexagonal bipyramids that share corners with four equivalent P(1)O4 tetrahedra, edges with two equivalent Sr(1)O8 hexagonal bipyramids, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent P(1)O4 tetrahedra. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and edges with two equivalent Sr(1)O8 hexagonal bipyramids. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Sr(1)O8 hexagonal bipyramids, corners with three equivalent Ti(1)O6 octahedra, and  an edgeedge with one Sr(1)O8 hexagonal bipyramid. The corner-sharing octahedral tilt angles range from 31-49°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sr(1), one Ti(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sr(1), one Ti(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrTi(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.737
_cell_length_b   8.737
_cell_length_c   8.224
_cell_angle_alpha   64.846
_cell_angle_beta   64.846
_cell_angle_gamma   34.882
_symmetry_Int_Tables_number   1
_cell_volume   321.405
_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
  Sr  Sr0  1  0.193  0.807  0.250  1.0
  Sr  Sr1  1  0.807  0.193  0.750  1.0
  Ti  Ti2  1  0.000  0.500  0.500  1.0
  Ti  Ti3  1  0.500  0.000  0.000  1.0
  P  P4  1  0.597  0.119  0.256  1.0
  P  P5  1  0.881  0.403  0.244  1.0
  P  P6  1  0.403  0.881  0.744  1.0
  P  P7  1  0.119  0.597  0.756  1.0
  O  O8  1  0.799  0.873  0.396  1.0
  O  O9  1  0.127  0.201  0.104  1.0
  O  O10  1  0.201  0.127  0.604  1.0
  O  O11  1  0.873  0.799  0.896  1.0
  O  O12  1  0.334  0.373  0.355  1.0
  O  O13  1  0.627  0.666  0.145  1.0
  O  O14  1  0.666  0.627  0.645  1.0
  O  O15  1  0.373  0.334  0.855  1.0
  O  O16  1  0.516  0.051  0.192  1.0
  O  O17  1  0.949  0.484  0.308  1.0
  O  O18  1  0.484  0.949  0.808  1.0
  O  O19  1  0.051  0.516  0.692  1.0
  O  O20  1  0.730  0.173  0.104  1.0
  O  O21  1  0.827  0.270  0.396  1.0
  O  O22  1  0.270  0.827  0.896  1.0
  O  O23  1  0.173  0.730  0.604  1.0
[/CIF]
.
The material described by SrTi(PO4)2 crystallizes in the monoclinic C2/c space group. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms to form distorted SrO8 hexagonal bipyramids that share corners with four equivalent P(1)O4 tetrahedra, edges with two equivalent Sr(1)O8 hexagonal bipyramids, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent P(1)O4 tetrahedra. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and edges with two equivalent Sr(1)O8 hexagonal bipyramids. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Sr(1)O8 hexagonal bipyramids, corners with three equivalent Ti(1)O6 octahedra, and  an edgeedge with one Sr(1)O8 hexagonal bipyramid. The corner-sharing octahedral tilt angles range from 31-49°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sr(1), one Ti(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sr(1), one Ti(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrTi(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.737
_cell_length_b   8.737
_cell_length_c   8.224
_cell_angle_alpha   64.846
_cell_angle_beta   64.846
_cell_angle_gamma   34.882
_symmetry_Int_Tables_number   1
_cell_volume   321.405
_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
  Sr  Sr0  1  0.193  0.807  0.250  1.0
  Sr  Sr1  1  0.807  0.193  0.750  1.0
  Ti  Ti2  1  0.000  0.500  0.500  1.0
  Ti  Ti3  1  0.500  0.000  0.000  1.0
  P  P4  1  0.597  0.119  0.256  1.0
  P  P5  1  0.881  0.403  0.244  1.0
  P  P6  1  0.403  0.881  0.744  1.0
  P  P7  1  0.119  0.597  0.756  1.0
  O  O8  1  0.799  0.873  0.396  1.0
  O  O9  1  0.127  0.201  0.104  1.0
  O  O10  1  0.201  0.127  0.604  1.0
  O  O11  1  0.873  0.799  0.896  1.0
  O  O12  1  0.334  0.373  0.355  1.0
  O  O13  1  0.627  0.666  0.145  1.0
  O  O14  1  0.666  0.627  0.645  1.0
  O  O15  1  0.373  0.334  0.855  1.0
  O  O16  1  0.516  0.051  0.192  1.0
  O  O17  1  0.949  0.484  0.308  1.0
  O  O18  1  0.484  0.949  0.808  1.0
  O  O19  1  0.051  0.516  0.692  1.0
  O  O20  1  0.730  0.173  0.104  1.0
  O  O21  1  0.827  0.270  0.396  1.0
  O  O22  1  0.270  0.827  0.896  1.0
  O  O23  1  0.173  0.730  0.604  1.0
[/CIF]
.