The compound described by AlPb3H2OF9 crystallizes in the triclinic P-1 space group. Al(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 three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), one F(1), one F(3), one F(4), one F(5), one F(6), and one F(9) atom. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to two equivalent F(7) and two equivalent F(8) atoms. In the third Pb site, Pb(3) is bonded in a 7-coordinate geometry to one F(1), one F(2), one F(9), two equivalent F(7), and two equivalent F(8) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a water-like geometry to two equivalent Pb(1), one H(1), and one H(2) atom. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Al(1), one Pb(1), and one Pb(3) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Al(1) and one Pb(3) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Al(1) and one Pb(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one Al(1) and one Pb(1) atom. In the fifth F site, F(5) is bonded in a distorted single-bond geometry to one Al(1) and one Pb(1) atom. In the sixth F site, F(6) is bonded in a distorted single-bond geometry to one Al(1) and one Pb(1) atom. In the seventh F site, F(7) is bonded to two equivalent Pb(2) and two equivalent Pb(3) atoms to form a mixture of corner and edge-sharing FPb4 tetrahedra. In the eighth F site, F(8) is bonded to two equivalent Pb(2) and two equivalent Pb(3) atoms to form a mixture of corner and edge-sharing FPb4 tetrahedra. In the ninth F site, F(9) is bonded in a bent 120 degrees geometry to one Pb(1) and one Pb(3) atom. is represented by the CIF card [CIF]
data_AlH2Pb3OF9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.727
_cell_length_b   5.953
_cell_length_c   12.916
_cell_angle_alpha   98.760
_cell_angle_beta   94.054
_cell_angle_gamma   90.340
_symmetry_Int_Tables_number   1
_cell_volume   434.031
_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
  Al  Al0  1  0.206  0.382  0.691  1.0
  Al  Al1  1  0.794  0.618  0.309  1.0
  H  H2  1  0.405  0.657  0.438  1.0
  H  H3  1  0.595  0.343  0.562  1.0
  H  H4  1  0.176  0.743  0.492  1.0
  H  H5  1  0.824  0.257  0.508  1.0
  Pb  Pb6  1  0.693  0.884  0.637  1.0
  Pb  Pb7  1  0.307  0.116  0.363  1.0
  Pb  Pb8  1  0.235  0.951  0.885  1.0
  Pb  Pb9  1  0.765  0.049  0.115  1.0
  Pb  Pb10  1  0.724  0.495  0.881  1.0
  Pb  Pb11  1  0.276  0.505  0.119  1.0
  O  O12  1  0.342  0.782  0.487  1.0
  O  O13  1  0.658  0.218  0.513  1.0
  F  F14  1  0.952  0.227  0.728  1.0
  F  F15  1  0.048  0.773  0.272  1.0
  F  F16  1  0.269  0.495  0.834  1.0
  F  F17  1  0.731  0.505  0.166  1.0
  F  F18  1  0.146  0.277  0.553  1.0
  F  F19  1  0.854  0.723  0.447  1.0
  F  F20  1  0.482  0.521  0.667  1.0
  F  F21  1  0.518  0.479  0.333  1.0
  F  F22  1  0.383  0.132  0.716  1.0
  F  F23  1  0.617  0.868  0.284  1.0
  F  F24  1  0.040  0.639  0.684  1.0
  F  F25  1  0.960  0.361  0.316  1.0
  F  F26  1  0.501  0.760  0.008  1.0
  F  F27  1  0.499  0.240  0.992  1.0
  F  F28  1  0.997  0.755  0.004  1.0
  F  F29  1  0.003  0.245  0.996  1.0
  F  F30  1  0.702  0.865  0.828  1.0
  F  F31  1  0.298  0.135  0.172  1.0
[/CIF]
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The compound described by AlPb3H2OF9 crystallizes in the triclinic P-1 space group. Al(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 three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), one F(1), one F(3), one F(4), one F(5), one F(6), and one F(9) atom. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to two equivalent F(7) and two equivalent F(8) atoms. In the third Pb site, Pb(3) is bonded in a 7-coordinate geometry to one F(1), one F(2), one F(9), two equivalent F(7), and two equivalent F(8) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a water-like geometry to two equivalent Pb(1), one H(1), and one H(2) atom. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Al(1), one Pb(1), and one Pb(3) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Al(1) and one Pb(3) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Al(1) and one Pb(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one Al(1) and one Pb(1) atom. In the fifth F site, F(5) is bonded in a distorted single-bond geometry to one Al(1) and one Pb(1) atom. In the sixth F site, F(6) is bonded in a distorted single-bond geometry to one Al(1) and one Pb(1) atom. In the seventh F site, F(7) is bonded to two equivalent Pb(2) and two equivalent Pb(3) atoms to form a mixture of corner and edge-sharing FPb4 tetrahedra. In the eighth F site, F(8) is bonded to two equivalent Pb(2) and two equivalent Pb(3) atoms to form a mixture of corner and edge-sharing FPb4 tetrahedra. In the ninth F site, F(9) is bonded in a bent 120 degrees geometry to one Pb(1) and one Pb(3) atom. is represented by the CIF card [CIF]
data_AlH2Pb3OF9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.727
_cell_length_b   5.953
_cell_length_c   12.916
_cell_angle_alpha   98.760
_cell_angle_beta   94.054
_cell_angle_gamma   90.340
_symmetry_Int_Tables_number   1
_cell_volume   434.031
_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
  Al  Al0  1  0.206  0.382  0.691  1.0
  Al  Al1  1  0.794  0.618  0.309  1.0
  H  H2  1  0.405  0.657  0.438  1.0
  H  H3  1  0.595  0.343  0.562  1.0
  H  H4  1  0.176  0.743  0.492  1.0
  H  H5  1  0.824  0.257  0.508  1.0
  Pb  Pb6  1  0.693  0.884  0.637  1.0
  Pb  Pb7  1  0.307  0.116  0.363  1.0
  Pb  Pb8  1  0.235  0.951  0.885  1.0
  Pb  Pb9  1  0.765  0.049  0.115  1.0
  Pb  Pb10  1  0.724  0.495  0.881  1.0
  Pb  Pb11  1  0.276  0.505  0.119  1.0
  O  O12  1  0.342  0.782  0.487  1.0
  O  O13  1  0.658  0.218  0.513  1.0
  F  F14  1  0.952  0.227  0.728  1.0
  F  F15  1  0.048  0.773  0.272  1.0
  F  F16  1  0.269  0.495  0.834  1.0
  F  F17  1  0.731  0.505  0.166  1.0
  F  F18  1  0.146  0.277  0.553  1.0
  F  F19  1  0.854  0.723  0.447  1.0
  F  F20  1  0.482  0.521  0.667  1.0
  F  F21  1  0.518  0.479  0.333  1.0
  F  F22  1  0.383  0.132  0.716  1.0
  F  F23  1  0.617  0.868  0.284  1.0
  F  F24  1  0.040  0.639  0.684  1.0
  F  F25  1  0.960  0.361  0.316  1.0
  F  F26  1  0.501  0.760  0.008  1.0
  F  F27  1  0.499  0.240  0.992  1.0
  F  F28  1  0.997  0.755  0.004  1.0
  F  F29  1  0.003  0.245  0.996  1.0
  F  F30  1  0.702  0.865  0.828  1.0
  F  F31  1  0.298  0.135  0.172  1.0
[/CIF]
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