The material described by Pb5Ti3F19 crystallizes in the tetragonal I4cm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in an octahedral geometry to one F(1), one F(3), two equivalent F(2), and two equivalent F(7) atoms. In the second Ti site, Ti(2) is bonded to two equivalent F(5) and four equivalent F(6) atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to one F(2), one F(3), one F(4), one F(6), and one F(7) atom. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to two equivalent F(4) and four equivalent F(1) atoms. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Ti(1) and two equivalent Pb(2) atoms. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Ti(1) and one Pb(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Ti(1) and two equivalent Pb(1) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Pb(2) and two equivalent Pb(1) atoms. In the fifth F site, F(5) is bonded in a linear geometry to two equivalent Ti(2) atoms. In the sixth F site, F(6) is bonded in a distorted single-bond geometry to one Ti(2) and one Pb(1) atom. In the seventh F site, F(7) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one Pb(1) atom. is represented by the CIF card [CIF]
data_Ti3Pb5F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.158
_cell_length_b   11.158
_cell_length_c   11.158
_cell_angle_alpha   97.115
_cell_angle_beta   97.115
_cell_angle_gamma   138.788
_symmetry_Int_Tables_number   1
_cell_volume   856.698
_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  0.611  0.783  0.500  1.0
  Ti  Ti1  1  0.283  0.111  0.500  1.0
  Ti  Ti2  1  0.783  0.283  0.173  1.0
  Ti  Ti3  1  0.111  0.611  0.827  1.0
  Ti  Ti4  1  0.749  0.749  0.000  1.0
  Ti  Ti5  1  0.249  0.249  0.000  1.0
  Pb  Pb6  1  0.128  0.833  0.166  1.0
  Pb  Pb7  1  0.667  0.962  0.834  1.0
  Pb  Pb8  1  0.833  0.667  0.704  1.0
  Pb  Pb9  1  0.628  0.462  0.296  1.0
  Pb  Pb10  1  0.962  0.128  0.296  1.0
  Pb  Pb11  1  0.167  0.333  0.704  1.0
  Pb  Pb12  1  0.333  0.628  0.166  1.0
  Pb  Pb13  1  0.462  0.167  0.834  1.0
  Pb  Pb14  1  0.284  0.784  0.500  1.0
  Pb  Pb15  1  0.784  0.284  0.500  1.0
  F  F16  1  0.604  0.957  0.500  1.0
  F  F17  1  0.457  0.104  0.500  1.0
  F  F18  1  0.957  0.457  0.353  1.0
  F  F19  1  0.104  0.604  0.647  1.0
  F  F20  1  0.843  0.471  0.754  1.0
  F  F21  1  0.717  0.089  0.246  1.0
  F  F22  1  0.471  0.717  0.628  1.0
  F  F23  1  0.343  0.589  0.372  1.0
  F  F24  1  0.089  0.843  0.372  1.0
  F  F25  1  0.217  0.971  0.628  1.0
  F  F26  1  0.971  0.343  0.754  1.0
  F  F27  1  0.589  0.217  0.246  1.0
  F  F28  1  0.141  0.146  0.500  1.0
  F  F29  1  0.646  0.641  0.500  1.0
  F  F30  1  0.146  0.646  0.005  1.0
  F  F31  1  0.641  0.141  0.995  1.0
  F  F32  1  0.016  0.290  0.500  1.0
  F  F33  1  0.790  0.516  0.500  1.0
  F  F34  1  0.290  0.790  0.274  1.0
  F  F35  1  0.516  0.016  0.726  1.0
  F  F36  1  0.999  0.999  0.000  1.0
  F  F37  1  0.499  0.499  0.000  1.0
  F  F38  1  0.814  0.637  0.936  1.0
  F  F39  1  0.701  0.878  0.064  1.0
  F  F40  1  0.637  0.701  0.823  1.0
  F  F41  1  0.314  0.378  0.177  1.0
  F  F42  1  0.878  0.814  0.177  1.0
  F  F43  1  0.201  0.137  0.823  1.0
  F  F44  1  0.137  0.314  0.936  1.0
  F  F45  1  0.378  0.201  0.064  1.0
  F  F46  1  0.846  0.500  0.145  1.0
  F  F47  1  0.354  0.700  0.855  1.0
  F  F48  1  0.500  0.354  0.654  1.0
  F  F49  1  0.346  0.200  0.346  1.0
  F  F50  1  0.700  0.846  0.346  1.0
  F  F51  1  0.854  1.000  0.654  1.0
  F  F52  1  1.000  0.346  0.145  1.0
  F  F53  1  0.200  0.854  0.855  1.0
[/CIF]
.
The material described by Pb5Ti3F19 crystallizes in the tetragonal I4cm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in an octahedral geometry to one F(1), one F(3), two equivalent F(2), and two equivalent F(7) atoms. In the second Ti site, Ti(2) is bonded to two equivalent F(5) and four equivalent F(6) atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to one F(2), one F(3), one F(4), one F(6), and one F(7) atom. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to two equivalent F(4) and four equivalent F(1) atoms. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Ti(1) and two equivalent Pb(2) atoms. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Ti(1) and one Pb(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Ti(1) and two equivalent Pb(1) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Pb(2) and two equivalent Pb(1) atoms. In the fifth F site, F(5) is bonded in a linear geometry to two equivalent Ti(2) atoms. In the sixth F site, F(6) is bonded in a distorted single-bond geometry to one Ti(2) and one Pb(1) atom. In the seventh F site, F(7) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one Pb(1) atom. is represented by the CIF card [CIF]
data_Ti3Pb5F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.158
_cell_length_b   11.158
_cell_length_c   11.158
_cell_angle_alpha   97.115
_cell_angle_beta   97.115
_cell_angle_gamma   138.788
_symmetry_Int_Tables_number   1
_cell_volume   856.698
_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  0.611  0.783  0.500  1.0
  Ti  Ti1  1  0.283  0.111  0.500  1.0
  Ti  Ti2  1  0.783  0.283  0.173  1.0
  Ti  Ti3  1  0.111  0.611  0.827  1.0
  Ti  Ti4  1  0.749  0.749  0.000  1.0
  Ti  Ti5  1  0.249  0.249  0.000  1.0
  Pb  Pb6  1  0.128  0.833  0.166  1.0
  Pb  Pb7  1  0.667  0.962  0.834  1.0
  Pb  Pb8  1  0.833  0.667  0.704  1.0
  Pb  Pb9  1  0.628  0.462  0.296  1.0
  Pb  Pb10  1  0.962  0.128  0.296  1.0
  Pb  Pb11  1  0.167  0.333  0.704  1.0
  Pb  Pb12  1  0.333  0.628  0.166  1.0
  Pb  Pb13  1  0.462  0.167  0.834  1.0
  Pb  Pb14  1  0.284  0.784  0.500  1.0
  Pb  Pb15  1  0.784  0.284  0.500  1.0
  F  F16  1  0.604  0.957  0.500  1.0
  F  F17  1  0.457  0.104  0.500  1.0
  F  F18  1  0.957  0.457  0.353  1.0
  F  F19  1  0.104  0.604  0.647  1.0
  F  F20  1  0.843  0.471  0.754  1.0
  F  F21  1  0.717  0.089  0.246  1.0
  F  F22  1  0.471  0.717  0.628  1.0
  F  F23  1  0.343  0.589  0.372  1.0
  F  F24  1  0.089  0.843  0.372  1.0
  F  F25  1  0.217  0.971  0.628  1.0
  F  F26  1  0.971  0.343  0.754  1.0
  F  F27  1  0.589  0.217  0.246  1.0
  F  F28  1  0.141  0.146  0.500  1.0
  F  F29  1  0.646  0.641  0.500  1.0
  F  F30  1  0.146  0.646  0.005  1.0
  F  F31  1  0.641  0.141  0.995  1.0
  F  F32  1  0.016  0.290  0.500  1.0
  F  F33  1  0.790  0.516  0.500  1.0
  F  F34  1  0.290  0.790  0.274  1.0
  F  F35  1  0.516  0.016  0.726  1.0
  F  F36  1  0.999  0.999  0.000  1.0
  F  F37  1  0.499  0.499  0.000  1.0
  F  F38  1  0.814  0.637  0.936  1.0
  F  F39  1  0.701  0.878  0.064  1.0
  F  F40  1  0.637  0.701  0.823  1.0
  F  F41  1  0.314  0.378  0.177  1.0
  F  F42  1  0.878  0.814  0.177  1.0
  F  F43  1  0.201  0.137  0.823  1.0
  F  F44  1  0.137  0.314  0.936  1.0
  F  F45  1  0.378  0.201  0.064  1.0
  F  F46  1  0.846  0.500  0.145  1.0
  F  F47  1  0.354  0.700  0.855  1.0
  F  F48  1  0.500  0.354  0.654  1.0
  F  F49  1  0.346  0.200  0.346  1.0
  F  F50  1  0.700  0.846  0.346  1.0
  F  F51  1  0.854  1.000  0.654  1.0
  F  F52  1  1.000  0.346  0.145  1.0
  F  F53  1  0.200  0.854  0.855  1.0
[/CIF]
.