The compound described by MgPb6Te4(O3Br)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 3-coordinate geometry to one O(3), one Br(1), and one Br(2) atom. There are six inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(2), one O(9), and one Br(3) atom. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(11), one O(12), one O(4), and one Br(4) atom. In the third Pb site, Pb(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(5), one O(6), one O(8), and one Br(3) atom. In the fourth Pb site, Pb(4) is bonded in a 3-coordinate geometry to one O(3), one O(4), and one O(7) atom. In the fifth Pb site, Pb(5) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(2), one O(8), and one O(9) atom. In the sixth Pb site, Pb(6) is bonded in a 2-coordinate geometry to one O(10), one O(12), one O(4), and one Br(4) atom. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(5), and one O(6) atom. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one O(3), one O(5), and one O(6) atom. In the third Te site, Te(3) is bonded in a distorted T-shaped geometry to one O(10), one O(7), and one O(9) atom. In the fourth Te site, Te(4) is bonded in a distorted T-shaped geometry to one O(11), one O(12), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a tetrahedral geometry to one Pb(1), one Pb(3), one Pb(5), and one Te(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Pb(1), one Pb(3), one Pb(5), and one Te(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Pb(4), and one Te(2) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Pb(2), one Pb(4), and one Pb(6) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Pb(3), one Te(1), and one Te(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Pb(3), one Te(1), and one Te(2) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Pb(4) and one Te(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Pb(3), one Pb(5), and one Te(4) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Pb(1), one Pb(5), and one Te(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Pb(1), one Pb(5), one Pb(6), and one Te(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Pb(2) and one Te(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Pb(2), one Pb(6), and one Te(4) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Mg(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Mg(1) atom. In the third Br site, Br(3) is bonded in a distorted single-bond geometry to one Pb(1) and one Pb(3) atom. In the fourth Br site, Br(4) is bonded in a distorted linear geometry to one Pb(2) and one Pb(6) atom. is represented by the CIF card [CIF]
data_MgTe4Pb6(BrO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.885
_cell_length_b   9.142
_cell_length_c   12.187
_cell_angle_alpha   103.103
_cell_angle_beta   87.880
_cell_angle_gamma   106.087
_symmetry_Int_Tables_number   1
_cell_volume   613.369
_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  0.094  0.617  0.939  1.0
  Te  Te1  1  0.654  0.224  0.090  1.0
  Te  Te2  1  0.461  0.876  0.932  1.0
  Te  Te3  1  0.858  0.736  0.407  1.0
  Te  Te4  1  0.083  0.241  0.577  1.0
  Pb  Pb5  1  0.277  0.533  0.243  1.0
  Pb  Pb6  1  0.647  0.434  0.750  1.0
  Pb  Pb7  1  0.069  0.061  0.199  1.0
  Pb  Pb8  1  0.923  0.900  0.763  1.0
  Pb  Pb9  1  0.702  0.324  0.391  1.0
  Pb  Pb10  1  0.354  0.659  0.609  1.0
  Br  Br11  1  0.829  0.647  0.101  1.0
  Br  Br12  1  0.152  0.352  0.896  1.0
  Br  Br13  1  0.429  0.899  0.315  1.0
  Br  Br14  1  0.506  0.053  0.662  1.0
  O  O15  1  0.913  0.293  0.210  1.0
  O  O16  1  0.442  0.267  0.212  1.0
  O  O17  1  0.142  0.757  0.834  1.0
  O  O18  1  0.620  0.677  0.750  1.0
  O  O19  1  0.739  0.029  0.067  1.0
  O  O20  1  0.328  0.048  0.018  1.0
  O  O21  1  0.885  0.800  0.564  1.0
  O  O22  1  0.044  0.207  0.420  1.0
  O  O23  1  0.015  0.573  0.389  1.0
  O  O24  1  0.553  0.585  0.401  1.0
  O  O25  1  0.945  0.412  0.613  1.0
  O  O26  1  0.397  0.384  0.594  1.0
[/CIF]
.
The compound described by MgPb6Te4(O3Br)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 3-coordinate geometry to one O(3), one Br(1), and one Br(2) atom. There are six inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(2), one O(9), and one Br(3) atom. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(11), one O(12), one O(4), and one Br(4) atom. In the third Pb site, Pb(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(5), one O(6), one O(8), and one Br(3) atom. In the fourth Pb site, Pb(4) is bonded in a 3-coordinate geometry to one O(3), one O(4), and one O(7) atom. In the fifth Pb site, Pb(5) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(2), one O(8), and one O(9) atom. In the sixth Pb site, Pb(6) is bonded in a 2-coordinate geometry to one O(10), one O(12), one O(4), and one Br(4) atom. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(5), and one O(6) atom. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one O(3), one O(5), and one O(6) atom. In the third Te site, Te(3) is bonded in a distorted T-shaped geometry to one O(10), one O(7), and one O(9) atom. In the fourth Te site, Te(4) is bonded in a distorted T-shaped geometry to one O(11), one O(12), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a tetrahedral geometry to one Pb(1), one Pb(3), one Pb(5), and one Te(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Pb(1), one Pb(3), one Pb(5), and one Te(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Pb(4), and one Te(2) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Pb(2), one Pb(4), and one Pb(6) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Pb(3), one Te(1), and one Te(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Pb(3), one Te(1), and one Te(2) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Pb(4) and one Te(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Pb(3), one Pb(5), and one Te(4) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Pb(1), one Pb(5), and one Te(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Pb(1), one Pb(5), one Pb(6), and one Te(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Pb(2) and one Te(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Pb(2), one Pb(6), and one Te(4) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Mg(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Mg(1) atom. In the third Br site, Br(3) is bonded in a distorted single-bond geometry to one Pb(1) and one Pb(3) atom. In the fourth Br site, Br(4) is bonded in a distorted linear geometry to one Pb(2) and one Pb(6) atom. is represented by the CIF card [CIF]
data_MgTe4Pb6(BrO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.885
_cell_length_b   9.142
_cell_length_c   12.187
_cell_angle_alpha   103.103
_cell_angle_beta   87.880
_cell_angle_gamma   106.087
_symmetry_Int_Tables_number   1
_cell_volume   613.369
_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  0.094  0.617  0.939  1.0
  Te  Te1  1  0.654  0.224  0.090  1.0
  Te  Te2  1  0.461  0.876  0.932  1.0
  Te  Te3  1  0.858  0.736  0.407  1.0
  Te  Te4  1  0.083  0.241  0.577  1.0
  Pb  Pb5  1  0.277  0.533  0.243  1.0
  Pb  Pb6  1  0.647  0.434  0.750  1.0
  Pb  Pb7  1  0.069  0.061  0.199  1.0
  Pb  Pb8  1  0.923  0.900  0.763  1.0
  Pb  Pb9  1  0.702  0.324  0.391  1.0
  Pb  Pb10  1  0.354  0.659  0.609  1.0
  Br  Br11  1  0.829  0.647  0.101  1.0
  Br  Br12  1  0.152  0.352  0.896  1.0
  Br  Br13  1  0.429  0.899  0.315  1.0
  Br  Br14  1  0.506  0.053  0.662  1.0
  O  O15  1  0.913  0.293  0.210  1.0
  O  O16  1  0.442  0.267  0.212  1.0
  O  O17  1  0.142  0.757  0.834  1.0
  O  O18  1  0.620  0.677  0.750  1.0
  O  O19  1  0.739  0.029  0.067  1.0
  O  O20  1  0.328  0.048  0.018  1.0
  O  O21  1  0.885  0.800  0.564  1.0
  O  O22  1  0.044  0.207  0.420  1.0
  O  O23  1  0.015  0.573  0.389  1.0
  O  O24  1  0.553  0.585  0.401  1.0
  O  O25  1  0.945  0.412  0.613  1.0
  O  O26  1  0.397  0.384  0.594  1.0
[/CIF]
.