The crystal structure described by MgPb6Te4(O6Br)2(Br)2 crystallizes in the monoclinic C2 space group. The structure consists of four hydrogen bromide atoms inside a MgPb6Te4(O6Br)2 framework. In the MgPb6Te4(O6Br)2 framework, Mg(1) is bonded in a 4-coordinate geometry to two equivalent Te(2) and two equivalent Br(2) atoms. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(6), and one O(7) atom. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one Br(2) atom. In the third Pb site, Pb(3) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(5), two equivalent O(6), and two equivalent O(7) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted edge-sharing TeO4 trigonal pyramids. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one Mg(1), one O(5), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Pb(2) and two equivalent Te(1) atoms. In the second O site, O(4) is bonded in a distorted water-like geometry to two equivalent Pb(2) and two equivalent Te(1) atoms. In the third O site, O(5) is bonded in a 3-coordinate geometry to one Pb(2), one Pb(3), and one Te(2) atom. In the fourth O site, O(6) is bonded in a 3-coordinate geometry to one Pb(1), two equivalent Pb(3), and one Te(2) atom. In the fifth O site, O(7) is bonded to one Pb(1), two equivalent Pb(3), and one Te(2) atom to form distorted corner-sharing OTePb3 tetrahedra. In the sixth O site, O(1) is bonded to one Pb(1), one Pb(2), one Pb(3), and one Te(1) atom to form distorted corner-sharing OTePb3 tetrahedra. In the seventh O site, O(2) is bonded in a 4-coordinate geometry to one Pb(1), one Pb(2), one Pb(3), and one Te(1) atom. Br(2) is bonded in a single-bond geometry to one Mg(1) and one Pb(2) atom. is represented by the CIF file [CIF]
data_MgTe4Pb6(BrO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.843
_cell_length_b   9.501
_cell_length_c   11.364
_cell_angle_alpha   106.345
_cell_angle_beta   90.000
_cell_angle_gamma   107.910
_symmetry_Int_Tables_number   1
_cell_volume   573.454
_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  0.340  0.000  0.500  1.0
  Te  Te1  1  0.601  0.195  0.052  1.0
  Te  Te2  1  0.405  0.805  0.948  1.0
  Te  Te3  1  0.849  0.737  0.419  1.0
  Te  Te4  1  0.113  0.263  0.581  1.0
  Pb  Pb5  1  0.261  0.499  0.207  1.0
  Pb  Pb6  1  0.761  0.501  0.793  1.0
  Pb  Pb7  1  0.031  0.065  0.199  1.0
  Pb  Pb8  1  0.967  0.935  0.801  1.0
  Pb  Pb9  1  0.693  0.350  0.399  1.0
  Pb  Pb10  1  0.343  0.650  0.601  1.0
  Br  Br11  1  0.814  0.635  0.105  1.0
  Br  Br12  1  0.180  0.365  0.895  1.0
  Br  Br13  1  0.490  0.915  0.290  1.0
  Br  Br14  1  0.575  0.085  0.710  1.0
  O  O15  1  0.860  0.260  0.184  1.0
  O  O16  1  0.398  0.263  0.179  1.0
  O  O17  1  0.135  0.737  0.821  1.0
  O  O18  1  0.600  0.740  0.816  1.0
  O  O19  1  0.718  0.000  0.000  1.0
  O  O20  1  0.297  0.000  0.000  1.0
  O  O21  1  0.814  0.763  0.591  1.0
  O  O22  1  0.051  0.237  0.409  1.0
  O  O23  1  0.012  0.583  0.391  1.0
  O  O24  1  0.528  0.566  0.388  1.0
  O  O25  1  0.962  0.434  0.612  1.0
  O  O26  1  0.429  0.417  0.609  1.0
[/CIF]
.
The crystal structure described by MgPb6Te4(O6Br)2(Br)2 crystallizes in the monoclinic C2 space group. The structure consists of four hydrogen bromide atoms inside a MgPb6Te4(O6Br)2 framework. In the MgPb6Te4(O6Br)2 framework, Mg(1) is bonded in a 4-coordinate geometry to two equivalent Te(2) and two equivalent Br(2) atoms. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(6), and one O(7) atom. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one Br(2) atom. In the third Pb site, Pb(3) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(5), two equivalent O(6), and two equivalent O(7) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted edge-sharing TeO4 trigonal pyramids. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one Mg(1), one O(5), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Pb(2) and two equivalent Te(1) atoms. In the second O site, O(4) is bonded in a distorted water-like geometry to two equivalent Pb(2) and two equivalent Te(1) atoms. In the third O site, O(5) is bonded in a 3-coordinate geometry to one Pb(2), one Pb(3), and one Te(2) atom. In the fourth O site, O(6) is bonded in a 3-coordinate geometry to one Pb(1), two equivalent Pb(3), and one Te(2) atom. In the fifth O site, O(7) is bonded to one Pb(1), two equivalent Pb(3), and one Te(2) atom to form distorted corner-sharing OTePb3 tetrahedra. In the sixth O site, O(1) is bonded to one Pb(1), one Pb(2), one Pb(3), and one Te(1) atom to form distorted corner-sharing OTePb3 tetrahedra. In the seventh O site, O(2) is bonded in a 4-coordinate geometry to one Pb(1), one Pb(2), one Pb(3), and one Te(1) atom. Br(2) is bonded in a single-bond geometry to one Mg(1) and one Pb(2) atom. is represented by the CIF file [CIF]
data_MgTe4Pb6(BrO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.843
_cell_length_b   9.501
_cell_length_c   11.364
_cell_angle_alpha   106.345
_cell_angle_beta   90.000
_cell_angle_gamma   107.910
_symmetry_Int_Tables_number   1
_cell_volume   573.454
_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  0.340  0.000  0.500  1.0
  Te  Te1  1  0.601  0.195  0.052  1.0
  Te  Te2  1  0.405  0.805  0.948  1.0
  Te  Te3  1  0.849  0.737  0.419  1.0
  Te  Te4  1  0.113  0.263  0.581  1.0
  Pb  Pb5  1  0.261  0.499  0.207  1.0
  Pb  Pb6  1  0.761  0.501  0.793  1.0
  Pb  Pb7  1  0.031  0.065  0.199  1.0
  Pb  Pb8  1  0.967  0.935  0.801  1.0
  Pb  Pb9  1  0.693  0.350  0.399  1.0
  Pb  Pb10  1  0.343  0.650  0.601  1.0
  Br  Br11  1  0.814  0.635  0.105  1.0
  Br  Br12  1  0.180  0.365  0.895  1.0
  Br  Br13  1  0.490  0.915  0.290  1.0
  Br  Br14  1  0.575  0.085  0.710  1.0
  O  O15  1  0.860  0.260  0.184  1.0
  O  O16  1  0.398  0.263  0.179  1.0
  O  O17  1  0.135  0.737  0.821  1.0
  O  O18  1  0.600  0.740  0.816  1.0
  O  O19  1  0.718  0.000  0.000  1.0
  O  O20  1  0.297  0.000  0.000  1.0
  O  O21  1  0.814  0.763  0.591  1.0
  O  O22  1  0.051  0.237  0.409  1.0
  O  O23  1  0.012  0.583  0.391  1.0
  O  O24  1  0.528  0.566  0.388  1.0
  O  O25  1  0.962  0.434  0.612  1.0
  O  O26  1  0.429  0.417  0.609  1.0
[/CIF]
.