The material described by PbBi6As4O20 crystallizes in the triclinic P-1 space group. Pb(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(10), and two equivalent O(9) atoms. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one O(5), one O(6), one O(8), and two equivalent O(4) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one O(10), one O(2), one O(4), one O(5), one O(6), one O(9), and two equivalent O(3) atoms. In the third Bi site, Bi(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(7) atom. There are two inequivalent As sites. In the first As site, As(1) is bonded in a tetrahedral geometry to one O(2), one O(6), one O(8), and one O(9) atom. In the second As site, As(2) is bonded in a tetrahedral geometry to one O(1), one O(10), one O(5), and one O(7) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Pb(1), one Bi(3), and one As(2) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Bi(2), one Bi(3), and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Bi(3) and two equivalent Bi(2) atoms. In the fourth O site, O(4) is bonded to one Bi(2), one Bi(3), and two equivalent Bi(1) atoms to form distorted edge-sharing OBi4 tetrahedra. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Bi(1), one Bi(2), and one As(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(2), and one As(1) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Bi(3) and one As(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Bi(1) and one As(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Pb(1), one Bi(2), and one As(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Pb(1), one Bi(2), and one As(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi6As4PbO20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.201
_cell_length_b   7.994
_cell_length_c   9.507
_cell_angle_alpha   106.757
_cell_angle_beta   93.783
_cell_angle_gamma   111.983
_symmetry_Int_Tables_number   1
_cell_volume   476.556
_cell_formula_units_Z   1
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
  Bi  Bi0  1  0.336  0.122  0.515  1.0
  Bi  Bi1  1  0.664  0.878  0.485  1.0
  Bi  Bi2  1  0.440  0.799  0.085  1.0
  Bi  Bi3  1  0.560  0.201  0.915  1.0
  Bi  Bi4  1  0.802  0.293  0.324  1.0
  Bi  Bi5  1  0.198  0.707  0.676  1.0
  As  As6  1  0.047  0.273  0.759  1.0
  As  As7  1  0.953  0.727  0.241  1.0
  As  As8  1  0.349  0.402  0.257  1.0
  As  As9  1  0.651  0.598  0.743  1.0
  Pb  Pb10  1  0.000  0.000  0.000  1.0
  O  O11  1  0.117  0.251  0.280  1.0
  O  O12  1  0.883  0.749  0.720  1.0
  O  O13  1  0.151  0.520  0.837  1.0
  O  O14  1  0.849  0.480  0.163  1.0
  O  O15  1  0.667  0.093  0.101  1.0
  O  O16  1  0.333  0.907  0.899  1.0
  O  O17  1  0.552  0.029  0.364  1.0
  O  O18  1  0.448  0.971  0.636  1.0
  O  O19  1  0.372  0.634  0.310  1.0
  O  O20  1  0.628  0.366  0.690  1.0
  O  O21  1  0.228  0.177  0.755  1.0
  O  O22  1  0.772  0.823  0.245  1.0
  O  O23  1  0.540  0.387  0.367  1.0
  O  O24  1  0.460  0.613  0.633  1.0
  O  O25  1  0.062  0.800  0.428  1.0
  O  O26  1  0.938  0.200  0.572  1.0
  O  O27  1  0.131  0.831  0.144  1.0
  O  O28  1  0.869  0.169  0.856  1.0
  O  O29  1  0.352  0.318  0.069  1.0
  O  O30  1  0.648  0.682  0.931  1.0
[/CIF]
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The material described by PbBi6As4O20 crystallizes in the triclinic P-1 space group. Pb(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(10), and two equivalent O(9) atoms. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one O(5), one O(6), one O(8), and two equivalent O(4) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one O(10), one O(2), one O(4), one O(5), one O(6), one O(9), and two equivalent O(3) atoms. In the third Bi site, Bi(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(7) atom. There are two inequivalent As sites. In the first As site, As(1) is bonded in a tetrahedral geometry to one O(2), one O(6), one O(8), and one O(9) atom. In the second As site, As(2) is bonded in a tetrahedral geometry to one O(1), one O(10), one O(5), and one O(7) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Pb(1), one Bi(3), and one As(2) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Bi(2), one Bi(3), and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Bi(3) and two equivalent Bi(2) atoms. In the fourth O site, O(4) is bonded to one Bi(2), one Bi(3), and two equivalent Bi(1) atoms to form distorted edge-sharing OBi4 tetrahedra. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Bi(1), one Bi(2), and one As(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(2), and one As(1) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Bi(3) and one As(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Bi(1) and one As(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Pb(1), one Bi(2), and one As(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Pb(1), one Bi(2), and one As(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi6As4PbO20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.201
_cell_length_b   7.994
_cell_length_c   9.507
_cell_angle_alpha   106.757
_cell_angle_beta   93.783
_cell_angle_gamma   111.983
_symmetry_Int_Tables_number   1
_cell_volume   476.556
_cell_formula_units_Z   1
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
  Bi  Bi0  1  0.336  0.122  0.515  1.0
  Bi  Bi1  1  0.664  0.878  0.485  1.0
  Bi  Bi2  1  0.440  0.799  0.085  1.0
  Bi  Bi3  1  0.560  0.201  0.915  1.0
  Bi  Bi4  1  0.802  0.293  0.324  1.0
  Bi  Bi5  1  0.198  0.707  0.676  1.0
  As  As6  1  0.047  0.273  0.759  1.0
  As  As7  1  0.953  0.727  0.241  1.0
  As  As8  1  0.349  0.402  0.257  1.0
  As  As9  1  0.651  0.598  0.743  1.0
  Pb  Pb10  1  0.000  0.000  0.000  1.0
  O  O11  1  0.117  0.251  0.280  1.0
  O  O12  1  0.883  0.749  0.720  1.0
  O  O13  1  0.151  0.520  0.837  1.0
  O  O14  1  0.849  0.480  0.163  1.0
  O  O15  1  0.667  0.093  0.101  1.0
  O  O16  1  0.333  0.907  0.899  1.0
  O  O17  1  0.552  0.029  0.364  1.0
  O  O18  1  0.448  0.971  0.636  1.0
  O  O19  1  0.372  0.634  0.310  1.0
  O  O20  1  0.628  0.366  0.690  1.0
  O  O21  1  0.228  0.177  0.755  1.0
  O  O22  1  0.772  0.823  0.245  1.0
  O  O23  1  0.540  0.387  0.367  1.0
  O  O24  1  0.460  0.613  0.633  1.0
  O  O25  1  0.062  0.800  0.428  1.0
  O  O26  1  0.938  0.200  0.572  1.0
  O  O27  1  0.131  0.831  0.144  1.0
  O  O28  1  0.869  0.169  0.856  1.0
  O  O29  1  0.352  0.318  0.069  1.0
  O  O30  1  0.648  0.682  0.931  1.0
[/CIF]
.