The material structure described by SrCaTi(PO4)2 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(8), two equivalent O(1), and two equivalent O(6) atoms. Ca(1) is bonded to one O(1), one O(2), one O(4), one O(7), and two equivalent O(5) atoms to form CaO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Ca(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. Ti(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(7), 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(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(1)O6 octahedra and  an edgeedge with one Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Ca(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 Ca(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Sr(1), one Ti(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), one Ti(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Ti(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Ca(1), one Ti(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Sr(1), two equivalent Ti(1), and one P(2) atom. is represented by the CIF file [CIF]
data_SrCaTi(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.768
_cell_length_b   6.850
_cell_length_c   9.684
_cell_angle_alpha   107.913
_cell_angle_beta   105.268
_cell_angle_gamma   97.076
_symmetry_Int_Tables_number   1
_cell_volume   342.454
_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  0.787  0.258  0.060  1.0
  Sr  Sr1  1  0.213  0.742  0.940  1.0
  Ca  Ca2  1  0.660  0.236  0.662  1.0
  Ca  Ca3  1  0.340  0.764  0.338  1.0
  Ti  Ti4  1  0.942  0.676  0.552  1.0
  Ti  Ti5  1  0.058  0.324  0.448  1.0
  P  P6  1  0.835  0.814  0.224  1.0
  P  P7  1  0.165  0.186  0.776  1.0
  P  P8  1  0.439  0.263  0.294  1.0
  P  P9  1  0.561  0.737  0.706  1.0
  O  O10  1  0.029  0.315  0.880  1.0
  O  O11  1  0.556  0.716  0.166  1.0
  O  O12  1  0.113  0.953  0.760  1.0
  O  O13  1  0.752  0.591  0.697  1.0
  O  O14  1  0.444  0.284  0.834  1.0
  O  O15  1  0.585  0.851  0.591  1.0
  O  O16  1  0.415  0.149  0.409  1.0
  O  O17  1  0.613  0.882  0.870  1.0
  O  O18  1  0.887  0.047  0.240  1.0
  O  O19  1  0.387  0.118  0.130  1.0
  O  O20  1  0.971  0.685  0.120  1.0
  O  O21  1  0.958  0.801  0.386  1.0
  O  O22  1  0.042  0.199  0.614  1.0
  O  O23  1  0.707  0.406  0.355  1.0
  O  O24  1  0.248  0.409  0.303  1.0
  O  O25  1  0.293  0.594  0.645  1.0
[/CIF]
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The material structure described by SrCaTi(PO4)2 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(8), two equivalent O(1), and two equivalent O(6) atoms. Ca(1) is bonded to one O(1), one O(2), one O(4), one O(7), and two equivalent O(5) atoms to form CaO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Ca(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. Ti(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(7), 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(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(1)O6 octahedra and  an edgeedge with one Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles are 61°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Ca(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 Ca(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Sr(1), one Ti(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), one Ti(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Ti(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Sr(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Ca(1), one Ti(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Sr(1), two equivalent Ti(1), and one P(2) atom. is represented by the CIF file [CIF]
data_SrCaTi(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.768
_cell_length_b   6.850
_cell_length_c   9.684
_cell_angle_alpha   107.913
_cell_angle_beta   105.268
_cell_angle_gamma   97.076
_symmetry_Int_Tables_number   1
_cell_volume   342.454
_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  0.787  0.258  0.060  1.0
  Sr  Sr1  1  0.213  0.742  0.940  1.0
  Ca  Ca2  1  0.660  0.236  0.662  1.0
  Ca  Ca3  1  0.340  0.764  0.338  1.0
  Ti  Ti4  1  0.942  0.676  0.552  1.0
  Ti  Ti5  1  0.058  0.324  0.448  1.0
  P  P6  1  0.835  0.814  0.224  1.0
  P  P7  1  0.165  0.186  0.776  1.0
  P  P8  1  0.439  0.263  0.294  1.0
  P  P9  1  0.561  0.737  0.706  1.0
  O  O10  1  0.029  0.315  0.880  1.0
  O  O11  1  0.556  0.716  0.166  1.0
  O  O12  1  0.113  0.953  0.760  1.0
  O  O13  1  0.752  0.591  0.697  1.0
  O  O14  1  0.444  0.284  0.834  1.0
  O  O15  1  0.585  0.851  0.591  1.0
  O  O16  1  0.415  0.149  0.409  1.0
  O  O17  1  0.613  0.882  0.870  1.0
  O  O18  1  0.887  0.047  0.240  1.0
  O  O19  1  0.387  0.118  0.130  1.0
  O  O20  1  0.971  0.685  0.120  1.0
  O  O21  1  0.958  0.801  0.386  1.0
  O  O22  1  0.042  0.199  0.614  1.0
  O  O23  1  0.707  0.406  0.355  1.0
  O  O24  1  0.248  0.409  0.303  1.0
  O  O25  1  0.293  0.594  0.645  1.0
[/CIF]
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