The material structure described by Pb12O8Br7Cl crystallizes in the monoclinic Pm space group. There are twelve inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 2-coordinate geometry to two equivalent O(3), one Br(5), and one Cl(1) atom. In the second Pb site, Pb(2) is bonded in a 2-coordinate geometry to two equivalent O(4), one Br(5), two equivalent Br(4), and one Cl(1) atom. In the third Pb site, Pb(3) is bonded in a 2-coordinate geometry to two equivalent O(1), one Br(6), and one Br(7) atom. In the fourth Pb site, Pb(4) is bonded in a 2-coordinate geometry to two equivalent O(2), one Br(6), and one Br(7) atom. In the fifth Pb site, Pb(5) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. In the sixth Pb site, Pb(6) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. In the seventh Pb site, Pb(7) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. In the eighth Pb site, Pb(8) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. In the ninth Pb site, Pb(9) is bonded in a distorted L-shaped geometry to two equivalent O(1), one Br(1), and one Cl(1) atom. In the tenth Pb site, Pb(10) is bonded in a distorted L-shaped geometry to two equivalent O(2), one Br(2), and one Br(5) atom. In the eleventh Pb site, Pb(11) is bonded in a distorted L-shaped geometry to two equivalent O(3), one Br(3), and one Br(6) atom. In the twelfth Pb site, Pb(12) is bonded in a distorted L-shaped geometry to two equivalent O(4), one Br(4), and one Br(7) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Pb(3), one Pb(5), one Pb(7), and one Pb(9) atom to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the second O site, O(2) is bonded to one Pb(10), one Pb(4), one Pb(6), and one Pb(8) atom to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the third O site, O(3) is bonded to one Pb(1), one Pb(11), one Pb(5), and one Pb(7) atom to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the fourth O site, O(4) is bonded to one Pb(12), one Pb(2), one Pb(6), and one Pb(8) atom to form a mixture of edge and corner-sharing OPb4 tetrahedra. There are seven inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted single-bond geometry to one Pb(9) atom. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to one Pb(10) atom. In the third Br site, Br(3) is bonded in a distorted single-bond geometry to one Pb(11) atom. In the fourth Br site, Br(4) is bonded in a distorted single-bond geometry to one Pb(12) and two equivalent Pb(2) atoms. In the fifth Br site, Br(5) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(10), and one Pb(2) atom. In the sixth Br site, Br(6) is bonded in a 3-coordinate geometry to one Pb(11), one Pb(3), and one Pb(4) atom. In the seventh Br site, Br(7) is bonded in a 3-coordinate geometry to one Pb(12), one Pb(3), and one Pb(4) atom. Cl(1) is bonded in a distorted single-bond geometry to one Pb(1), one Pb(2), and one Pb(9) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pb12Br7ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.979
_cell_length_b   10.104
_cell_length_c   12.471
_cell_angle_alpha   89.542
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   753.295
_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
  Pb  Pb0  1  0.000  0.284  0.055  1.0
  Pb  Pb1  1  0.000  0.214  0.565  1.0
  Pb  Pb2  1  0.500  0.715  0.940  1.0
  Pb  Pb3  1  0.500  0.785  0.440  1.0
  Pb  Pb4  1  0.000  0.924  0.078  1.0
  Pb  Pb5  1  0.000  0.576  0.578  1.0
  Pb  Pb6  1  0.500  0.077  0.921  1.0
  Pb  Pb7  1  0.500  0.424  0.423  1.0
  Pb  Pb8  1  0.000  0.871  0.789  1.0
  Pb  Pb9  1  0.000  0.633  0.289  1.0
  Pb  Pb10  1  0.500  0.134  0.210  1.0
  Pb  Pb11  1  0.500  0.366  0.712  1.0
  Br  Br12  1  0.000  0.579  0.869  1.0
  Br  Br13  1  0.000  0.921  0.370  1.0
  Br  Br14  1  0.500  0.421  0.130  1.0
  Br  Br15  1  0.500  0.079  0.632  1.0
  Br  Br16  1  0.000  0.305  0.310  1.0
  Br  Br17  1  0.500  0.805  0.189  1.0
  Br  Br18  1  0.500  0.695  0.689  1.0
  Cl  Cl19  1  0.000  0.190  0.810  1.0
  O  O20  1  0.254  0.890  0.922  1.0
  O  O21  1  0.746  0.610  0.422  1.0
  O  O22  1  0.754  0.111  0.077  1.0
  O  O23  1  0.246  0.389  0.580  1.0
  O  O24  1  0.246  0.111  0.077  1.0
  O  O25  1  0.754  0.389  0.580  1.0
  O  O26  1  0.746  0.890  0.922  1.0
  O  O27  1  0.254  0.610  0.422  1.0
[/CIF]
.
The material structure described by Pb12O8Br7Cl crystallizes in the monoclinic Pm space group. There are twelve inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 2-coordinate geometry to two equivalent O(3), one Br(5), and one Cl(1) atom. In the second Pb site, Pb(2) is bonded in a 2-coordinate geometry to two equivalent O(4), one Br(5), two equivalent Br(4), and one Cl(1) atom. In the third Pb site, Pb(3) is bonded in a 2-coordinate geometry to two equivalent O(1), one Br(6), and one Br(7) atom. In the fourth Pb site, Pb(4) is bonded in a 2-coordinate geometry to two equivalent O(2), one Br(6), and one Br(7) atom. In the fifth Pb site, Pb(5) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. In the sixth Pb site, Pb(6) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. In the seventh Pb site, Pb(7) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. In the eighth Pb site, Pb(8) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. In the ninth Pb site, Pb(9) is bonded in a distorted L-shaped geometry to two equivalent O(1), one Br(1), and one Cl(1) atom. In the tenth Pb site, Pb(10) is bonded in a distorted L-shaped geometry to two equivalent O(2), one Br(2), and one Br(5) atom. In the eleventh Pb site, Pb(11) is bonded in a distorted L-shaped geometry to two equivalent O(3), one Br(3), and one Br(6) atom. In the twelfth Pb site, Pb(12) is bonded in a distorted L-shaped geometry to two equivalent O(4), one Br(4), and one Br(7) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Pb(3), one Pb(5), one Pb(7), and one Pb(9) atom to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the second O site, O(2) is bonded to one Pb(10), one Pb(4), one Pb(6), and one Pb(8) atom to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the third O site, O(3) is bonded to one Pb(1), one Pb(11), one Pb(5), and one Pb(7) atom to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the fourth O site, O(4) is bonded to one Pb(12), one Pb(2), one Pb(6), and one Pb(8) atom to form a mixture of edge and corner-sharing OPb4 tetrahedra. There are seven inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted single-bond geometry to one Pb(9) atom. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to one Pb(10) atom. In the third Br site, Br(3) is bonded in a distorted single-bond geometry to one Pb(11) atom. In the fourth Br site, Br(4) is bonded in a distorted single-bond geometry to one Pb(12) and two equivalent Pb(2) atoms. In the fifth Br site, Br(5) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(10), and one Pb(2) atom. In the sixth Br site, Br(6) is bonded in a 3-coordinate geometry to one Pb(11), one Pb(3), and one Pb(4) atom. In the seventh Br site, Br(7) is bonded in a 3-coordinate geometry to one Pb(12), one Pb(3), and one Pb(4) atom. Cl(1) is bonded in a distorted single-bond geometry to one Pb(1), one Pb(2), and one Pb(9) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pb12Br7ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.979
_cell_length_b   10.104
_cell_length_c   12.471
_cell_angle_alpha   89.542
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   753.295
_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
  Pb  Pb0  1  0.000  0.284  0.055  1.0
  Pb  Pb1  1  0.000  0.214  0.565  1.0
  Pb  Pb2  1  0.500  0.715  0.940  1.0
  Pb  Pb3  1  0.500  0.785  0.440  1.0
  Pb  Pb4  1  0.000  0.924  0.078  1.0
  Pb  Pb5  1  0.000  0.576  0.578  1.0
  Pb  Pb6  1  0.500  0.077  0.921  1.0
  Pb  Pb7  1  0.500  0.424  0.423  1.0
  Pb  Pb8  1  0.000  0.871  0.789  1.0
  Pb  Pb9  1  0.000  0.633  0.289  1.0
  Pb  Pb10  1  0.500  0.134  0.210  1.0
  Pb  Pb11  1  0.500  0.366  0.712  1.0
  Br  Br12  1  0.000  0.579  0.869  1.0
  Br  Br13  1  0.000  0.921  0.370  1.0
  Br  Br14  1  0.500  0.421  0.130  1.0
  Br  Br15  1  0.500  0.079  0.632  1.0
  Br  Br16  1  0.000  0.305  0.310  1.0
  Br  Br17  1  0.500  0.805  0.189  1.0
  Br  Br18  1  0.500  0.695  0.689  1.0
  Cl  Cl19  1  0.000  0.190  0.810  1.0
  O  O20  1  0.254  0.890  0.922  1.0
  O  O21  1  0.746  0.610  0.422  1.0
  O  O22  1  0.754  0.111  0.077  1.0
  O  O23  1  0.246  0.389  0.580  1.0
  O  O24  1  0.246  0.111  0.077  1.0
  O  O25  1  0.754  0.389  0.580  1.0
  O  O26  1  0.746  0.890  0.922  1.0
  O  O27  1  0.254  0.610  0.422  1.0
[/CIF]
.