The material structure described by AlB2Pb6(OF)7 crystallizes in the orthorhombic Cmc2_1 space group. Al(1) is bonded in an octahedral geometry to one O(4), one F(5), two equivalent F(1), and two equivalent F(2) atoms. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to four equivalent O(2), one F(5), and two equivalent F(3) atoms. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to one O(4), two equivalent O(3), and one F(4) atom. In the third Pb site, Pb(3) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one F(1), and one F(3) atom. In the fourth Pb site, Pb(4) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one F(2), and one F(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one B(1), one Pb(3), and one Pb(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one B(1), one Pb(3), and two equivalent Pb(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one B(1), one Pb(2), and one Pb(4) atom. In the fourth O site, O(4) is bonded in a distorted tetrahedral geometry to one Al(1), one Pb(2), and two equivalent Pb(4) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Al(1) and one Pb(3) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Al(1) and one Pb(4) atom. In the third F site, F(3) is bonded to two equivalent Pb(1) and two equivalent Pb(3) atoms to form distorted corner-sharing FPb4 tetrahedra. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Pb(2) and two equivalent Pb(4) atoms. In the fifth F site, F(5) is bonded in a single-bond geometry to one Al(1) and one Pb(1) atom. is represented by the CIF card [CIF]
data_AlB2Pb6(OF)7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.066
_cell_length_b   11.066
_cell_length_c   6.375
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   114.922
_symmetry_Int_Tables_number   1
_cell_volume   707.962
_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  0.255  0.745  0.521  1.0
  Al  Al1  1  0.745  0.255  0.021  1.0
  B  B2  1  0.757  0.751  0.245  1.0
  B  B3  1  0.243  0.249  0.745  1.0
  B  B4  1  0.751  0.757  0.745  1.0
  B  B5  1  0.249  0.243  0.245  1.0
  Pb  Pb6  1  0.947  0.053  0.995  1.0
  Pb  Pb7  1  0.565  0.435  0.020  1.0
  Pb  Pb8  1  0.053  0.947  0.495  1.0
  Pb  Pb9  1  0.435  0.565  0.520  1.0
  Pb  Pb10  1  0.971  0.685  0.994  1.0
  Pb  Pb11  1  0.195  0.496  0.969  1.0
  Pb  Pb12  1  0.685  0.971  0.494  1.0
  Pb  Pb13  1  0.496  0.195  0.469  1.0
  Pb  Pb14  1  0.504  0.805  0.969  1.0
  Pb  Pb15  1  0.315  0.029  0.994  1.0
  Pb  Pb16  1  0.805  0.504  0.469  1.0
  Pb  Pb17  1  0.029  0.315  0.494  1.0
  O  O18  1  0.818  0.675  0.751  1.0
  O  O19  1  0.182  0.325  0.251  1.0
  O  O20  1  0.675  0.818  0.251  1.0
  O  O21  1  0.325  0.182  0.751  1.0
  O  O22  1  0.893  0.821  0.209  1.0
  O  O23  1  0.297  0.387  0.768  1.0
  O  O24  1  0.821  0.893  0.709  1.0
  O  O25  1  0.387  0.297  0.268  1.0
  O  O26  1  0.613  0.703  0.768  1.0
  O  O27  1  0.179  0.107  0.209  1.0
  O  O28  1  0.703  0.613  0.268  1.0
  O  O29  1  0.107  0.179  0.709  1.0
  O  O30  1  0.329  0.671  0.727  1.0
  O  O31  1  0.671  0.329  0.227  1.0
  F  F32  1  0.092  0.687  0.657  1.0
  F  F33  1  0.191  0.587  0.370  1.0
  F  F34  1  0.687  0.092  0.157  1.0
  F  F35  1  0.587  0.191  0.870  1.0
  F  F36  1  0.413  0.809  0.370  1.0
  F  F37  1  0.313  0.908  0.657  1.0
  F  F38  1  0.809  0.413  0.870  1.0
  F  F39  1  0.908  0.313  0.157  1.0
  F  F40  1  0.089  0.911  0.897  1.0
  F  F41  1  0.410  0.590  0.102  1.0
  F  F42  1  0.911  0.089  0.397  1.0
  F  F43  1  0.590  0.410  0.602  1.0
  F  F44  1  0.182  0.818  0.311  1.0
  F  F45  1  0.818  0.182  0.811  1.0
[/CIF]
.
The material structure described by AlB2Pb6(OF)7 crystallizes in the orthorhombic Cmc2_1 space group. Al(1) is bonded in an octahedral geometry to one O(4), one F(5), two equivalent F(1), and two equivalent F(2) atoms. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to four equivalent O(2), one F(5), and two equivalent F(3) atoms. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to one O(4), two equivalent O(3), and one F(4) atom. In the third Pb site, Pb(3) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one F(1), and one F(3) atom. In the fourth Pb site, Pb(4) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one F(2), and one F(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one B(1), one Pb(3), and one Pb(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one B(1), one Pb(3), and two equivalent Pb(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one B(1), one Pb(2), and one Pb(4) atom. In the fourth O site, O(4) is bonded in a distorted tetrahedral geometry to one Al(1), one Pb(2), and two equivalent Pb(4) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Al(1) and one Pb(3) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Al(1) and one Pb(4) atom. In the third F site, F(3) is bonded to two equivalent Pb(1) and two equivalent Pb(3) atoms to form distorted corner-sharing FPb4 tetrahedra. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Pb(2) and two equivalent Pb(4) atoms. In the fifth F site, F(5) is bonded in a single-bond geometry to one Al(1) and one Pb(1) atom. is represented by the CIF card [CIF]
data_AlB2Pb6(OF)7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.066
_cell_length_b   11.066
_cell_length_c   6.375
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   114.922
_symmetry_Int_Tables_number   1
_cell_volume   707.962
_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  0.255  0.745  0.521  1.0
  Al  Al1  1  0.745  0.255  0.021  1.0
  B  B2  1  0.757  0.751  0.245  1.0
  B  B3  1  0.243  0.249  0.745  1.0
  B  B4  1  0.751  0.757  0.745  1.0
  B  B5  1  0.249  0.243  0.245  1.0
  Pb  Pb6  1  0.947  0.053  0.995  1.0
  Pb  Pb7  1  0.565  0.435  0.020  1.0
  Pb  Pb8  1  0.053  0.947  0.495  1.0
  Pb  Pb9  1  0.435  0.565  0.520  1.0
  Pb  Pb10  1  0.971  0.685  0.994  1.0
  Pb  Pb11  1  0.195  0.496  0.969  1.0
  Pb  Pb12  1  0.685  0.971  0.494  1.0
  Pb  Pb13  1  0.496  0.195  0.469  1.0
  Pb  Pb14  1  0.504  0.805  0.969  1.0
  Pb  Pb15  1  0.315  0.029  0.994  1.0
  Pb  Pb16  1  0.805  0.504  0.469  1.0
  Pb  Pb17  1  0.029  0.315  0.494  1.0
  O  O18  1  0.818  0.675  0.751  1.0
  O  O19  1  0.182  0.325  0.251  1.0
  O  O20  1  0.675  0.818  0.251  1.0
  O  O21  1  0.325  0.182  0.751  1.0
  O  O22  1  0.893  0.821  0.209  1.0
  O  O23  1  0.297  0.387  0.768  1.0
  O  O24  1  0.821  0.893  0.709  1.0
  O  O25  1  0.387  0.297  0.268  1.0
  O  O26  1  0.613  0.703  0.768  1.0
  O  O27  1  0.179  0.107  0.209  1.0
  O  O28  1  0.703  0.613  0.268  1.0
  O  O29  1  0.107  0.179  0.709  1.0
  O  O30  1  0.329  0.671  0.727  1.0
  O  O31  1  0.671  0.329  0.227  1.0
  F  F32  1  0.092  0.687  0.657  1.0
  F  F33  1  0.191  0.587  0.370  1.0
  F  F34  1  0.687  0.092  0.157  1.0
  F  F35  1  0.587  0.191  0.870  1.0
  F  F36  1  0.413  0.809  0.370  1.0
  F  F37  1  0.313  0.908  0.657  1.0
  F  F38  1  0.809  0.413  0.870  1.0
  F  F39  1  0.908  0.313  0.157  1.0
  F  F40  1  0.089  0.911  0.897  1.0
  F  F41  1  0.410  0.590  0.102  1.0
  F  F42  1  0.911  0.089  0.397  1.0
  F  F43  1  0.590  0.410  0.602  1.0
  F  F44  1  0.182  0.818  0.311  1.0
  F  F45  1  0.818  0.182  0.811  1.0
[/CIF]
.