The material structure described by Mg(Tl)2(Pb2OBr2)8(Br)2 is Indium-derived structured and crystallizes in the tetragonal P4 space group. The structure is zero-dimensional and consists of one 7439-95-4 atom, two 7440-28-0 atoms, two hydrogen bromide atoms, and two Pb2OBr2 clusters. In each Pb2OBr2 cluster, there are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted single-bond geometry to one O(1), one Br(1), and one Br(3) atom. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(2) atoms. In the third Pb site, Pb(3) is bonded in a 3-coordinate geometry to one O(2), one Br(2), and one Br(4) atom. In the fourth Pb site, Pb(4) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Pb(1), one Pb(2), and two equivalent Pb(4) atoms to form edge-sharing OPb4 tetrahedra. In the second O site, O(2) is bonded to one Pb(3), one Pb(4), and two equivalent Pb(2) atoms to form edge-sharing OPb4 tetrahedra. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Pb(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Pb(3) atom. In the third Br site, Br(3) is bonded in a distorted single-bond geometry to one Pb(1) atom. In the fourth Br site, Br(4) is bonded in a distorted single-bond geometry to one Pb(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTl2Pb16(Br9O4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.446
_cell_length_b   12.611
_cell_length_c   12.611
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1343.145
_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
  Mg  Mg0  1  0.107  0.750  0.750  1.0
  Tl  Tl1  1  0.669  0.750  0.750  1.0
  Tl  Tl2  1  0.332  0.250  0.250  1.0
  Pb  Pb3  1  0.822  0.334  0.982  1.0
  Pb  Pb4  1  0.355  0.195  0.613  1.0
  Pb  Pb5  1  0.177  0.665  0.019  1.0
  Pb  Pb6  1  0.645  0.386  0.694  1.0
  Pb  Pb7  1  0.645  0.114  0.806  1.0
  Pb  Pb8  1  0.645  0.806  0.386  1.0
  Pb  Pb9  1  0.177  0.835  0.481  1.0
  Pb  Pb10  1  0.822  0.982  0.166  1.0
  Pb  Pb11  1  0.355  0.613  0.305  1.0
  Pb  Pb12  1  0.177  0.481  0.665  1.0
  Pb  Pb13  1  0.822  0.166  0.518  1.0
  Pb  Pb14  1  0.355  0.887  0.195  1.0
  Pb  Pb15  1  0.355  0.305  0.887  1.0
  Pb  Pb16  1  0.177  0.019  0.835  1.0
  Pb  Pb17  1  0.645  0.694  0.114  1.0
  Pb  Pb18  1  0.822  0.518  0.334  1.0
  Br  Br19  1  0.885  0.868  0.963  1.0
  Br  Br20  1  0.114  0.133  0.038  1.0
  Br  Br21  1  0.114  0.462  0.133  1.0
  Br  Br22  1  0.599  0.432  0.130  1.0
  Br  Br23  1  0.403  0.567  0.870  1.0
  Br  Br24  1  0.403  0.630  0.567  1.0
  Br  Br25  1  0.114  0.367  0.462  1.0
  Br  Br26  1  0.114  0.038  0.367  1.0
  Br  Br27  1  0.599  0.068  0.370  1.0
  Br  Br28  1  0.000  0.750  0.250  1.0
  Br  Br29  1  0.885  0.963  0.632  1.0
  Br  Br30  1  0.403  0.933  0.630  1.0
  Br  Br31  1  0.885  0.537  0.868  1.0
  Br  Br32  1  0.599  0.370  0.432  1.0
  Br  Br33  1  0.403  0.870  0.933  1.0
  Br  Br34  1  0.885  0.632  0.537  1.0
  Br  Br35  1  0.599  0.130  0.068  1.0
  Br  Br36  1  0.000  0.250  0.750  1.0
  O  O37  1  0.628  0.204  0.642  1.0
  O  O38  1  0.372  0.142  0.796  1.0
  O  O39  1  0.372  0.704  0.142  1.0
  O  O40  1  0.628  0.642  0.296  1.0
  O  O41  1  0.628  0.858  0.204  1.0
  O  O42  1  0.372  0.358  0.704  1.0
  O  O43  1  0.628  0.296  0.858  1.0
  O  O44  1  0.372  0.796  0.358  1.0
[/CIF]
.
The material structure described by Mg(Tl)2(Pb2OBr2)8(Br)2 is Indium-derived structured and crystallizes in the tetragonal P4 space group. The structure is zero-dimensional and consists of one 7439-95-4 atom, two 7440-28-0 atoms, two hydrogen bromide atoms, and two Pb2OBr2 clusters. In each Pb2OBr2 cluster, there are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted single-bond geometry to one O(1), one Br(1), and one Br(3) atom. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(2) atoms. In the third Pb site, Pb(3) is bonded in a 3-coordinate geometry to one O(2), one Br(2), and one Br(4) atom. In the fourth Pb site, Pb(4) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Pb(1), one Pb(2), and two equivalent Pb(4) atoms to form edge-sharing OPb4 tetrahedra. In the second O site, O(2) is bonded to one Pb(3), one Pb(4), and two equivalent Pb(2) atoms to form edge-sharing OPb4 tetrahedra. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Pb(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Pb(3) atom. In the third Br site, Br(3) is bonded in a distorted single-bond geometry to one Pb(1) atom. In the fourth Br site, Br(4) is bonded in a distorted single-bond geometry to one Pb(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTl2Pb16(Br9O4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.446
_cell_length_b   12.611
_cell_length_c   12.611
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1343.145
_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
  Mg  Mg0  1  0.107  0.750  0.750  1.0
  Tl  Tl1  1  0.669  0.750  0.750  1.0
  Tl  Tl2  1  0.332  0.250  0.250  1.0
  Pb  Pb3  1  0.822  0.334  0.982  1.0
  Pb  Pb4  1  0.355  0.195  0.613  1.0
  Pb  Pb5  1  0.177  0.665  0.019  1.0
  Pb  Pb6  1  0.645  0.386  0.694  1.0
  Pb  Pb7  1  0.645  0.114  0.806  1.0
  Pb  Pb8  1  0.645  0.806  0.386  1.0
  Pb  Pb9  1  0.177  0.835  0.481  1.0
  Pb  Pb10  1  0.822  0.982  0.166  1.0
  Pb  Pb11  1  0.355  0.613  0.305  1.0
  Pb  Pb12  1  0.177  0.481  0.665  1.0
  Pb  Pb13  1  0.822  0.166  0.518  1.0
  Pb  Pb14  1  0.355  0.887  0.195  1.0
  Pb  Pb15  1  0.355  0.305  0.887  1.0
  Pb  Pb16  1  0.177  0.019  0.835  1.0
  Pb  Pb17  1  0.645  0.694  0.114  1.0
  Pb  Pb18  1  0.822  0.518  0.334  1.0
  Br  Br19  1  0.885  0.868  0.963  1.0
  Br  Br20  1  0.114  0.133  0.038  1.0
  Br  Br21  1  0.114  0.462  0.133  1.0
  Br  Br22  1  0.599  0.432  0.130  1.0
  Br  Br23  1  0.403  0.567  0.870  1.0
  Br  Br24  1  0.403  0.630  0.567  1.0
  Br  Br25  1  0.114  0.367  0.462  1.0
  Br  Br26  1  0.114  0.038  0.367  1.0
  Br  Br27  1  0.599  0.068  0.370  1.0
  Br  Br28  1  0.000  0.750  0.250  1.0
  Br  Br29  1  0.885  0.963  0.632  1.0
  Br  Br30  1  0.403  0.933  0.630  1.0
  Br  Br31  1  0.885  0.537  0.868  1.0
  Br  Br32  1  0.599  0.370  0.432  1.0
  Br  Br33  1  0.403  0.870  0.933  1.0
  Br  Br34  1  0.885  0.632  0.537  1.0
  Br  Br35  1  0.599  0.130  0.068  1.0
  Br  Br36  1  0.000  0.250  0.750  1.0
  O  O37  1  0.628  0.204  0.642  1.0
  O  O38  1  0.372  0.142  0.796  1.0
  O  O39  1  0.372  0.704  0.142  1.0
  O  O40  1  0.628  0.642  0.296  1.0
  O  O41  1  0.628  0.858  0.204  1.0
  O  O42  1  0.372  0.358  0.704  1.0
  O  O43  1  0.628  0.296  0.858  1.0
  O  O44  1  0.372  0.796  0.358  1.0
[/CIF]
.