The material structure described by Pb10SO13F2 crystallizes in the triclinic P-1 space group. There are ten inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(5), and one O(7) atom. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to one O(1), one O(5), and two equivalent O(3) atoms. In the third Pb site, Pb(3) is bonded in a 4-coordinate geometry to one O(1), one O(4), and two equivalent O(2) atoms. In the fourth Pb site, Pb(4) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(6), one O(7), and one F(2) atom. In the fifth Pb site, Pb(5) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(3), one O(5), and one F(1) atom. In the sixth Pb site, Pb(6) is bonded in a distorted trigonal bipyramidal geometry to one O(12), one O(13), one O(6), one O(7), and one F(1) atom. In the seventh Pb site, Pb(7) is bonded in a 3-coordinate geometry to one O(13), one O(5), and one O(7) atom. In the eighth Pb site, Pb(8) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one F(2) atom. In the ninth Pb site, Pb(9) is bonded in a 3-coordinate geometry to one O(12), one O(4), and one O(6) atom. In the tenth Pb site, Pb(10) is bonded in a 4-coordinate geometry to one O(11), one O(13), one O(6), and one F(2) atom. S(1) is bonded in a tetrahedral geometry to one O(10), one O(11), one O(8), and one O(9) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded to one Pb(1), one Pb(2), one Pb(3), and one Pb(8) atom to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the second O site, O(2) is bonded to one Pb(1), one Pb(4), and two equivalent Pb(3) atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the third O site, O(3) is bonded to one Pb(5), one Pb(8), and two equivalent Pb(2) atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the fourth O site, O(4) is bonded to one Pb(3), one Pb(4), one Pb(8), and one Pb(9) atom to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the fifth O site, O(5) is bonded to one Pb(1), one Pb(2), one Pb(5), and one Pb(7) atom to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the sixth O site, O(6) is bonded to one Pb(10), one Pb(4), one Pb(6), and one Pb(9) atom to form a mixture of distorted corner and edge-sharing OPb4 tetrahedra. In the seventh O site, O(7) is bonded to one Pb(1), one Pb(4), one Pb(6), and one Pb(7) atom to form a mixture of distorted corner and edge-sharing OPb4 tetrahedra. In the eighth O site, O(8) is bonded in a single-bond geometry to one S(1) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one S(1) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one S(1) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Pb(10) and one S(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Pb(5), one Pb(6), and one Pb(9) atom. In the thirteenth O site, O(13) is bonded in a trigonal non-coplanar geometry to one Pb(10), one Pb(6), and one Pb(7) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Pb(5) and one Pb(6) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Pb(10), one Pb(4), and one Pb(8) atom. is represented by the CIF card [CIF]
data_Pb10SO13F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.705
_cell_length_b   10.584
_cell_length_c   11.176
_cell_angle_alpha   109.884
_cell_angle_beta   90.695
_cell_angle_gamma   107.414
_symmetry_Int_Tables_number   1
_cell_volume   1021.684
_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
  Pb  Pb0  1  0.536  0.554  0.816  1.0
  Pb  Pb1  1  0.464  0.446  0.184  1.0
  Pb  Pb2  1  0.655  0.954  0.907  1.0
  Pb  Pb3  1  0.345  0.046  0.093  1.0
  Pb  Pb4  1  0.562  0.696  0.551  1.0
  Pb  Pb5  1  0.438  0.304  0.449  1.0
  Pb  Pb6  1  0.172  0.503  0.414  1.0
  Pb  Pb7  1  0.828  0.497  0.586  1.0
  Pb  Pb8  1  0.589  0.830  0.173  1.0
  Pb  Pb9  1  0.411  0.170  0.827  1.0
  Pb  Pb10  1  0.184  0.653  0.161  1.0
  Pb  Pb11  1  0.816  0.347  0.839  1.0
  Pb  Pb12  1  0.919  0.762  0.963  1.0
  Pb  Pb13  1  0.081  0.238  0.037  1.0
  Pb  Pb14  1  0.274  0.752  0.757  1.0
  Pb  Pb15  1  0.726  0.248  0.243  1.0
  Pb  Pb16  1  0.279  0.896  0.474  1.0
  Pb  Pb17  1  0.721  0.104  0.526  1.0
  Pb  Pb18  1  0.895  0.728  0.313  1.0
  Pb  Pb19  1  0.105  0.272  0.687  1.0
  S  S20  1  0.972  0.925  0.706  1.0
  S  S21  1  0.028  0.075  0.294  1.0
  O  O22  1  0.501  0.738  0.765  1.0
  O  O23  1  0.499  0.262  0.235  1.0
  O  O24  1  0.401  0.489  0.396  1.0
  O  O25  1  0.599  0.511  0.604  1.0
  O  O26  1  0.576  0.008  0.117  1.0
  O  O27  1  0.424  0.992  0.883  1.0
  O  O28  1  0.323  0.736  0.554  1.0
  O  O29  1  0.677  0.264  0.446  1.0
  O  O30  1  0.686  0.758  0.976  1.0
  O  O31  1  0.314  0.242  0.024  1.0
  O  O32  1  0.102  0.695  0.354  1.0
  O  O33  1  0.898  0.305  0.646  1.0
  O  O34  1  0.204  0.467  0.181  1.0
  O  O35  1  0.796  0.533  0.819  1.0
  O  O36  1  0.859  0.817  0.742  1.0
  O  O37  1  0.141  0.183  0.258  1.0
  O  O38  1  0.900  0.001  0.191  1.0
  O  O39  1  0.100  0.999  0.809  1.0
  O  O40  1  0.021  0.852  0.583  1.0
  O  O41  1  0.979  0.148  0.417  1.0
  O  O42  1  0.908  0.032  0.691  1.0
  O  O43  1  0.092  0.968  0.309  1.0
  O  O44  1  0.363  0.828  0.275  1.0
  O  O45  1  0.637  0.172  0.725  1.0
  O  O46  1  0.971  0.644  0.102  1.0
  O  O47  1  0.029  0.356  0.898  1.0
  F  F48  1  0.349  0.664  0.019  1.0
  F  F49  1  0.651  0.336  0.981  1.0
  F  F50  1  0.772  0.520  0.352  1.0
  F  F51  1  0.228  0.480  0.648  1.0
[/CIF]
.
The material structure described by Pb10SO13F2 crystallizes in the triclinic P-1 space group. There are ten inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(5), and one O(7) atom. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to one O(1), one O(5), and two equivalent O(3) atoms. In the third Pb site, Pb(3) is bonded in a 4-coordinate geometry to one O(1), one O(4), and two equivalent O(2) atoms. In the fourth Pb site, Pb(4) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(6), one O(7), and one F(2) atom. In the fifth Pb site, Pb(5) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(3), one O(5), and one F(1) atom. In the sixth Pb site, Pb(6) is bonded in a distorted trigonal bipyramidal geometry to one O(12), one O(13), one O(6), one O(7), and one F(1) atom. In the seventh Pb site, Pb(7) is bonded in a 3-coordinate geometry to one O(13), one O(5), and one O(7) atom. In the eighth Pb site, Pb(8) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one F(2) atom. In the ninth Pb site, Pb(9) is bonded in a 3-coordinate geometry to one O(12), one O(4), and one O(6) atom. In the tenth Pb site, Pb(10) is bonded in a 4-coordinate geometry to one O(11), one O(13), one O(6), and one F(2) atom. S(1) is bonded in a tetrahedral geometry to one O(10), one O(11), one O(8), and one O(9) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded to one Pb(1), one Pb(2), one Pb(3), and one Pb(8) atom to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the second O site, O(2) is bonded to one Pb(1), one Pb(4), and two equivalent Pb(3) atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the third O site, O(3) is bonded to one Pb(5), one Pb(8), and two equivalent Pb(2) atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the fourth O site, O(4) is bonded to one Pb(3), one Pb(4), one Pb(8), and one Pb(9) atom to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the fifth O site, O(5) is bonded to one Pb(1), one Pb(2), one Pb(5), and one Pb(7) atom to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the sixth O site, O(6) is bonded to one Pb(10), one Pb(4), one Pb(6), and one Pb(9) atom to form a mixture of distorted corner and edge-sharing OPb4 tetrahedra. In the seventh O site, O(7) is bonded to one Pb(1), one Pb(4), one Pb(6), and one Pb(7) atom to form a mixture of distorted corner and edge-sharing OPb4 tetrahedra. In the eighth O site, O(8) is bonded in a single-bond geometry to one S(1) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one S(1) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one S(1) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Pb(10) and one S(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Pb(5), one Pb(6), and one Pb(9) atom. In the thirteenth O site, O(13) is bonded in a trigonal non-coplanar geometry to one Pb(10), one Pb(6), and one Pb(7) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one Pb(5) and one Pb(6) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Pb(10), one Pb(4), and one Pb(8) atom. is represented by the CIF card [CIF]
data_Pb10SO13F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.705
_cell_length_b   10.584
_cell_length_c   11.176
_cell_angle_alpha   109.884
_cell_angle_beta   90.695
_cell_angle_gamma   107.414
_symmetry_Int_Tables_number   1
_cell_volume   1021.684
_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
  Pb  Pb0  1  0.536  0.554  0.816  1.0
  Pb  Pb1  1  0.464  0.446  0.184  1.0
  Pb  Pb2  1  0.655  0.954  0.907  1.0
  Pb  Pb3  1  0.345  0.046  0.093  1.0
  Pb  Pb4  1  0.562  0.696  0.551  1.0
  Pb  Pb5  1  0.438  0.304  0.449  1.0
  Pb  Pb6  1  0.172  0.503  0.414  1.0
  Pb  Pb7  1  0.828  0.497  0.586  1.0
  Pb  Pb8  1  0.589  0.830  0.173  1.0
  Pb  Pb9  1  0.411  0.170  0.827  1.0
  Pb  Pb10  1  0.184  0.653  0.161  1.0
  Pb  Pb11  1  0.816  0.347  0.839  1.0
  Pb  Pb12  1  0.919  0.762  0.963  1.0
  Pb  Pb13  1  0.081  0.238  0.037  1.0
  Pb  Pb14  1  0.274  0.752  0.757  1.0
  Pb  Pb15  1  0.726  0.248  0.243  1.0
  Pb  Pb16  1  0.279  0.896  0.474  1.0
  Pb  Pb17  1  0.721  0.104  0.526  1.0
  Pb  Pb18  1  0.895  0.728  0.313  1.0
  Pb  Pb19  1  0.105  0.272  0.687  1.0
  S  S20  1  0.972  0.925  0.706  1.0
  S  S21  1  0.028  0.075  0.294  1.0
  O  O22  1  0.501  0.738  0.765  1.0
  O  O23  1  0.499  0.262  0.235  1.0
  O  O24  1  0.401  0.489  0.396  1.0
  O  O25  1  0.599  0.511  0.604  1.0
  O  O26  1  0.576  0.008  0.117  1.0
  O  O27  1  0.424  0.992  0.883  1.0
  O  O28  1  0.323  0.736  0.554  1.0
  O  O29  1  0.677  0.264  0.446  1.0
  O  O30  1  0.686  0.758  0.976  1.0
  O  O31  1  0.314  0.242  0.024  1.0
  O  O32  1  0.102  0.695  0.354  1.0
  O  O33  1  0.898  0.305  0.646  1.0
  O  O34  1  0.204  0.467  0.181  1.0
  O  O35  1  0.796  0.533  0.819  1.0
  O  O36  1  0.859  0.817  0.742  1.0
  O  O37  1  0.141  0.183  0.258  1.0
  O  O38  1  0.900  0.001  0.191  1.0
  O  O39  1  0.100  0.999  0.809  1.0
  O  O40  1  0.021  0.852  0.583  1.0
  O  O41  1  0.979  0.148  0.417  1.0
  O  O42  1  0.908  0.032  0.691  1.0
  O  O43  1  0.092  0.968  0.309  1.0
  O  O44  1  0.363  0.828  0.275  1.0
  O  O45  1  0.637  0.172  0.725  1.0
  O  O46  1  0.971  0.644  0.102  1.0
  O  O47  1  0.029  0.356  0.898  1.0
  F  F48  1  0.349  0.664  0.019  1.0
  F  F49  1  0.651  0.336  0.981  1.0
  F  F50  1  0.772  0.520  0.352  1.0
  F  F51  1  0.228  0.480  0.648  1.0
[/CIF]
.