The crystal structure described by SrTi(OF3)2 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to one O(1), two equivalent O(2), one F(1), one F(2), one F(3), one F(4), and one F(6) atom. Ti(1) is bonded in an octahedral geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Sr(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Sr(1) atoms. There are six inequivalent F sites. In the first F site, F(5) is bonded in a single-bond geometry to one Ti(1) atom. In the second F site, F(6) is bonded in a linear geometry to one Sr(1) and one Ti(1) atom. In the third F site, F(1) is bonded in a bent 150 degrees geometry to one Sr(1) and one Ti(1) atom. In the fourth F site, F(2) is bonded in a bent 150 degrees geometry to one Sr(1) and one Ti(1) atom. In the fifth F site, F(3) is bonded in a bent 150 degrees geometry to one Sr(1) and one Ti(1) atom. In the sixth F site, F(4) is bonded in a bent 150 degrees geometry to one Sr(1) and one Ti(1) atom. is represented by the CIF file [CIF]
data_SrTi(OF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.458
_cell_length_b   6.174
_cell_length_c   11.732
_cell_angle_alpha   66.580
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   695.165
_cell_formula_units_Z   4
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  0.716  0.277  0.554  1.0
  Sr  Sr1  1  0.216  0.723  0.946  1.0
  Sr  Sr2  1  0.284  0.723  0.446  1.0
  Sr  Sr3  1  0.784  0.277  0.054  1.0
  Ti  Ti4  1  0.530  0.632  0.752  1.0
  Ti  Ti5  1  0.030  0.368  0.748  1.0
  Ti  Ti6  1  0.470  0.368  0.248  1.0
  Ti  Ti7  1  0.970  0.632  0.252  1.0
  O  O8  1  0.681  0.903  0.999  1.0
  O  O9  1  0.181  0.097  0.501  1.0
  O  O10  1  0.319  0.097  0.001  1.0
  O  O11  1  0.819  0.903  0.499  1.0
  O  O12  1  0.936  0.676  0.908  1.0
  O  O13  1  0.436  0.324  0.592  1.0
  O  O14  1  0.064  0.324  0.092  1.0
  O  O15  1  0.564  0.676  0.408  1.0
  F  F16  1  0.631  0.912  0.699  1.0
  F  F17  1  0.131  0.088  0.801  1.0
  F  F18  1  0.369  0.088  0.301  1.0
  F  F19  1  0.869  0.912  0.199  1.0
  F  F20  1  0.648  0.520  0.662  1.0
  F  F21  1  0.148  0.480  0.838  1.0
  F  F22  1  0.352  0.480  0.338  1.0
  F  F23  1  0.852  0.520  0.162  1.0
  F  F24  1  0.915  0.231  0.674  1.0
  F  F25  1  0.415  0.769  0.826  1.0
  F  F26  1  0.085  0.769  0.326  1.0
  F  F27  1  0.585  0.231  0.174  1.0
  F  F28  1  0.929  0.240  0.898  1.0
  F  F29  1  0.429  0.760  0.602  1.0
  F  F30  1  0.071  0.760  0.102  1.0
  F  F31  1  0.571  0.240  0.398  1.0
  F  F32  1  0.936  0.645  0.700  1.0
  F  F33  1  0.436  0.355  0.800  1.0
  F  F34  1  0.064  0.355  0.300  1.0
  F  F35  1  0.564  0.645  0.200  1.0
  F  F36  1  0.632  0.498  0.894  1.0
  F  F37  1  0.132  0.502  0.606  1.0
  F  F38  1  0.368  0.502  0.106  1.0
  F  F39  1  0.868  0.498  0.394  1.0
[/CIF]
.
The crystal structure described by SrTi(OF3)2 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to one O(1), two equivalent O(2), one F(1), one F(2), one F(3), one F(4), and one F(6) atom. Ti(1) is bonded in an octahedral geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Sr(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Sr(1) atoms. There are six inequivalent F sites. In the first F site, F(5) is bonded in a single-bond geometry to one Ti(1) atom. In the second F site, F(6) is bonded in a linear geometry to one Sr(1) and one Ti(1) atom. In the third F site, F(1) is bonded in a bent 150 degrees geometry to one Sr(1) and one Ti(1) atom. In the fourth F site, F(2) is bonded in a bent 150 degrees geometry to one Sr(1) and one Ti(1) atom. In the fifth F site, F(3) is bonded in a bent 150 degrees geometry to one Sr(1) and one Ti(1) atom. In the sixth F site, F(4) is bonded in a bent 150 degrees geometry to one Sr(1) and one Ti(1) atom. is represented by the CIF file [CIF]
data_SrTi(OF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.458
_cell_length_b   6.174
_cell_length_c   11.732
_cell_angle_alpha   66.580
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   695.165
_cell_formula_units_Z   4
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  0.716  0.277  0.554  1.0
  Sr  Sr1  1  0.216  0.723  0.946  1.0
  Sr  Sr2  1  0.284  0.723  0.446  1.0
  Sr  Sr3  1  0.784  0.277  0.054  1.0
  Ti  Ti4  1  0.530  0.632  0.752  1.0
  Ti  Ti5  1  0.030  0.368  0.748  1.0
  Ti  Ti6  1  0.470  0.368  0.248  1.0
  Ti  Ti7  1  0.970  0.632  0.252  1.0
  O  O8  1  0.681  0.903  0.999  1.0
  O  O9  1  0.181  0.097  0.501  1.0
  O  O10  1  0.319  0.097  0.001  1.0
  O  O11  1  0.819  0.903  0.499  1.0
  O  O12  1  0.936  0.676  0.908  1.0
  O  O13  1  0.436  0.324  0.592  1.0
  O  O14  1  0.064  0.324  0.092  1.0
  O  O15  1  0.564  0.676  0.408  1.0
  F  F16  1  0.631  0.912  0.699  1.0
  F  F17  1  0.131  0.088  0.801  1.0
  F  F18  1  0.369  0.088  0.301  1.0
  F  F19  1  0.869  0.912  0.199  1.0
  F  F20  1  0.648  0.520  0.662  1.0
  F  F21  1  0.148  0.480  0.838  1.0
  F  F22  1  0.352  0.480  0.338  1.0
  F  F23  1  0.852  0.520  0.162  1.0
  F  F24  1  0.915  0.231  0.674  1.0
  F  F25  1  0.415  0.769  0.826  1.0
  F  F26  1  0.085  0.769  0.326  1.0
  F  F27  1  0.585  0.231  0.174  1.0
  F  F28  1  0.929  0.240  0.898  1.0
  F  F29  1  0.429  0.760  0.602  1.0
  F  F30  1  0.071  0.760  0.102  1.0
  F  F31  1  0.571  0.240  0.398  1.0
  F  F32  1  0.936  0.645  0.700  1.0
  F  F33  1  0.436  0.355  0.800  1.0
  F  F34  1  0.064  0.355  0.300  1.0
  F  F35  1  0.564  0.645  0.200  1.0
  F  F36  1  0.632  0.498  0.894  1.0
  F  F37  1  0.132  0.502  0.606  1.0
  F  F38  1  0.368  0.502  0.106  1.0
  F  F39  1  0.868  0.498  0.394  1.0
[/CIF]
.