The structure described by SrTi(PO4)2 crystallizes in the monoclinic C2/m space group. Sr(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Ti(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-44°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Sr(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. is represented by the CIF card [CIF]
data_SrTi(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.856
_cell_length_b   4.856
_cell_length_c   7.456
_cell_angle_alpha   87.291
_cell_angle_beta   87.291
_cell_angle_gamma   65.710
_symmetry_Int_Tables_number   1
_cell_volume   159.981
_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
  Sr  Sr0  1  0.000  0.000  0.500  1.0
  Ti  Ti1  1  0.000  0.000  0.000  1.0
  P  P2  1  0.365  0.365  0.784  1.0
  P  P3  1  0.635  0.635  0.216  1.0
  O  O4  1  0.301  0.301  0.597  1.0
  O  O5  1  0.699  0.699  0.403  1.0
  O  O6  1  0.715  0.232  0.808  1.0
  O  O7  1  0.285  0.768  0.192  1.0
  O  O8  1  0.768  0.285  0.192  1.0
  O  O9  1  0.232  0.715  0.808  1.0
  O  O10  1  0.229  0.229  0.938  1.0
  O  O11  1  0.771  0.771  0.062  1.0
[/CIF]
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The structure described by SrTi(PO4)2 crystallizes in the monoclinic C2/m space group. Sr(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Ti(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-44°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Sr(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. is represented by the CIF card [CIF]
data_SrTi(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.856
_cell_length_b   4.856
_cell_length_c   7.456
_cell_angle_alpha   87.291
_cell_angle_beta   87.291
_cell_angle_gamma   65.710
_symmetry_Int_Tables_number   1
_cell_volume   159.981
_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
  Sr  Sr0  1  0.000  0.000  0.500  1.0
  Ti  Ti1  1  0.000  0.000  0.000  1.0
  P  P2  1  0.365  0.365  0.784  1.0
  P  P3  1  0.635  0.635  0.216  1.0
  O  O4  1  0.301  0.301  0.597  1.0
  O  O5  1  0.699  0.699  0.403  1.0
  O  O6  1  0.715  0.232  0.808  1.0
  O  O7  1  0.285  0.768  0.192  1.0
  O  O8  1  0.768  0.285  0.192  1.0
  O  O9  1  0.232  0.715  0.808  1.0
  O  O10  1  0.229  0.229  0.938  1.0
  O  O11  1  0.771  0.771  0.062  1.0
[/CIF]
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