The compound described by MgTlPb16(O4Br9)2Tl crystallizes in the triclinic P1 space group. The structure consists of one 7440-28-0 atom inside a MgTlPb16(O4Br9)2 framework. In the MgTlPb16(O4Br9)2 framework, Mg(1) is bonded in a 5-coordinate geometry to one Tl(1), one Br(11), one Br(12), one Br(16), and one Br(6) atom. Tl(1) is bonded in a 6-coordinate geometry to one Mg(1), one Pb(15), one Br(1), one Br(13), one Br(15), and one Br(5) atom. There are sixteen inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 1-coordinate geometry to one O(7), one Br(13), one Br(17), and one Br(4) atom. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(6) atom. In the third Pb site, Pb(3) is bonded in a 1-coordinate geometry to one O(3), one Br(10), one Br(3), and one Br(5) atom. In the fourth Pb site, Pb(4) is bonded in a 3-coordinate geometry to one O(1), one O(6), one O(7), and one Br(14) atom. In the fifth Pb site, Pb(5) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(7), and one Br(17) atom. In the sixth Pb site, Pb(6) is bonded in a 3-coordinate geometry to one O(4), one O(5), one O(8), and one Br(10) atom. In the seventh Pb site, Pb(7) is bonded in a distorted single-bond geometry to one O(8), one Br(10), one Br(12), and one Br(8) atom. In the eighth Pb site, Pb(8) is bonded in a 1-coordinate geometry to one O(5), one Br(1), and one Br(17) atom. In the ninth Pb site, Pb(9) is bonded in a 3-coordinate geometry to one O(3), one O(4), and one O(8) atom. In the tenth Pb site, Pb(10) is bonded in a 1-coordinate geometry to one O(6), one Br(5), one Br(6), and one Br(7) atom. In the eleventh Pb site, Pb(11) is bonded in a 1-coordinate geometry to one O(1), one Br(11), one Br(14), and one Br(9) atom. In the twelfth Pb site, Pb(12) is bonded in a 3-coordinate geometry to one O(3), one O(5), one O(8), and one Br(15) atom. In the thirteenth Pb site, Pb(13) is bonded in a 3-coordinate geometry to one O(2), one O(6), one O(7), and one Br(5) atom. In the fourteenth Pb site, Pb(14) is bonded in a 1-coordinate geometry to one O(2), one Br(15), one Br(18), and one Br(2) atom. In the fifteenth Pb site, Pb(15) is bonded in a 2-coordinate geometry to one Tl(1), one O(3), one O(5), and one Br(4) atom. In the sixteenth Pb site, Pb(16) is bonded in a distorted single-bond geometry to one O(4), one Br(14), one Br(16), and one Br(4) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Pb(11), one Pb(2), one Pb(4), and one Pb(5) atom to form edge-sharing OPb4 tetrahedra. In the second O site, O(2) is bonded to one Pb(13), one Pb(14), one Pb(2), and one Pb(5) atom to form OPb4 tetrahedra that share  a cornercorner with one Br(5)TlPb3 tetrahedra,  an edgeedge with one O(1)Pb4 tetrahedra,  an edgeedge with one O(6)Pb4 tetrahedra, and  an edgeedge with one O(7)Pb4 tetrahedra. In the third O site, O(3) is bonded to one Pb(12), one Pb(15), one Pb(3), and one Pb(9) atom to form OPb4 tetrahedra that share  a cornercorner with one Br(5)TlPb3 tetrahedra,  an edgeedge with one O(5)Pb4 tetrahedra, and  an edgeedge with one O(8)Pb4 tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Pb(16), one Pb(6), and one Pb(9) atom. In the fifth O site, O(5) is bonded to one Pb(12), one Pb(15), one Pb(6), and one Pb(8) atom to form edge-sharing OPb4 tetrahedra. In the sixth O site, O(6) is bonded to one Pb(10), one Pb(13), one Pb(2), and one Pb(4) atom to form OPb4 tetrahedra that share  an edgeedge with one O(1)Pb4 tetrahedra,  an edgeedge with one O(2)Pb4 tetrahedra,  an edgeedge with one O(7)Pb4 tetrahedra, and  an edgeedge with one Br(5)TlPb3 tetrahedra. In the seventh O site, O(7) is bonded to one Pb(1), one Pb(13), one Pb(4), and one Pb(5) atom to form OPb4 tetrahedra that share  a cornercorner with one Br(5)TlPb3 tetrahedra,  an edgeedge with one O(1)Pb4 tetrahedra,  an edgeedge with one O(2)Pb4 tetrahedra, and  an edgeedge with one O(6)Pb4 tetrahedra. In the eighth O site, O(8) is bonded to one Pb(12), one Pb(6), one Pb(7), and one Pb(9) atom to form edge-sharing OPb4 tetrahedra. There are eighteen inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted bent 120 degrees geometry to one Tl(1) and one Pb(8) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Pb(14) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one Pb(3) atom. In the fourth Br site, Br(4) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(15), and one Pb(16) atom. In the fifth Br site, Br(5) is bonded to one Tl(1), one Pb(10), one Pb(13), and one Pb(3) atom to form distorted BrTlPb3 tetrahedra that share  a cornercorner with one O(2)Pb4 tetrahedra,  a cornercorner with one O(3)Pb4 tetrahedra,  a cornercorner with one O(7)Pb4 tetrahedra, and  an edgeedge with one O(6)Pb4 tetrahedra. In the sixth Br site, Br(6) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one Pb(10) atom. In the seventh Br site, Br(7) is bonded in a single-bond geometry to one Pb(10) atom. In the eighth Br site, Br(8) is bonded in a single-bond geometry to one Pb(7) atom. In the ninth Br site, Br(9) is bonded in a distorted single-bond geometry to one Pb(11) atom. In the tenth Br site, Br(10) is bonded in a 3-coordinate geometry to one Pb(3), one Pb(6), and one Pb(7) atom. In the eleventh Br site, Br(11) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Pb(11) atom. In the twelfth Br site, Br(12) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Pb(7) atom. In the thirteenth Br site, Br(13) is bonded in a bent 120 degrees geometry to one Tl(1) and one Pb(1) atom. In the fourteenth Br site, Br(14) is bonded in a 3-coordinate geometry to one Pb(11), one Pb(16), and one Pb(4) atom. In the fifteenth Br site, Br(15) is bonded in a distorted trigonal planar geometry to one Tl(1), one Pb(12), and one Pb(14) atom. In the sixteenth Br site, Br(16) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Pb(16) atom. In the seventeenth Br site, Br(17) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(5), and one Pb(8) atom. In the eighteenth Br site, Br(18) is bonded in a 1-coordinate geometry to one Pb(14) 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   8.490
_cell_length_b   12.687
_cell_length_c   12.874
_cell_angle_alpha   90.900
_cell_angle_beta   88.516
_cell_angle_gamma   89.829
_symmetry_Int_Tables_number   1
_cell_volume   1386.107
_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  0.675  0.786  0.640  1.0
  Tl  Tl1  1  0.639  0.736  0.856  1.0
  Tl  Tl2  1  0.335  0.247  0.253  1.0
  Pb  Pb3  1  0.814  0.332  0.976  1.0
  Pb  Pb4  1  0.354  0.195  0.614  1.0
  Pb  Pb5  1  0.176  0.656  0.034  1.0
  Pb  Pb6  1  0.643  0.387  0.694  1.0
  Pb  Pb7  1  0.640  0.117  0.800  1.0
  Pb  Pb8  1  0.651  0.811  0.367  1.0
  Pb  Pb9  1  0.185  0.843  0.466  1.0
  Pb  Pb10  1  0.822  0.983  0.160  1.0
  Pb  Pb11  1  0.363  0.615  0.303  1.0
  Pb  Pb12  1  0.182  0.483  0.663  1.0
  Pb  Pb13  1  0.816  0.171  0.511  1.0
  Pb  Pb14  1  0.364  0.877  0.181  1.0
  Pb  Pb15  1  0.346  0.309  0.882  1.0
  Pb  Pb16  1  0.163  0.032  0.833  1.0
  Pb  Pb17  1  0.667  0.687  0.093  1.0
  Pb  Pb18  1  0.817  0.524  0.329  1.0
  Br  Br19  1  0.910  0.874  0.965  1.0
  Br  Br20  1  0.114  0.145  0.031  1.0
  Br  Br21  1  0.111  0.455  0.135  1.0
  Br  Br22  1  0.601  0.433  0.134  1.0
  Br  Br23  1  0.368  0.560  0.863  1.0
  Br  Br24  1  0.401  0.634  0.566  1.0
  Br  Br25  1  0.111  0.362  0.466  1.0
  Br  Br26  1  0.121  0.043  0.359  1.0
  Br  Br27  1  0.603  0.076  0.361  1.0
  Br  Br28  1  0.011  0.756  0.255  1.0
  Br  Br29  1  0.872  0.955  0.618  1.0
  Br  Br30  1  0.428  0.926  0.616  1.0
  Br  Br31  1  0.889  0.532  0.871  1.0
  Br  Br32  1  0.617  0.366  0.435  1.0
  Br  Br33  1  0.365  0.884  0.929  1.0
  Br  Br34  1  0.881  0.656  0.540  1.0
  Br  Br35  1  0.608  0.129  0.061  1.0
  Br  Br36  1  0.991  0.250  0.745  1.0
  O  O37  1  0.626  0.206  0.639  1.0
  O  O38  1  0.369  0.144  0.792  1.0
  O  O39  1  0.387  0.695  0.137  1.0
  O  O40  1  0.624  0.640  0.314  1.0
  O  O41  1  0.635  0.855  0.189  1.0
  O  O42  1  0.370  0.358  0.700  1.0
  O  O43  1  0.620  0.298  0.855  1.0
  O  O44  1  0.379  0.800  0.347  1.0
[/CIF]
.
The compound described by MgTlPb16(O4Br9)2Tl crystallizes in the triclinic P1 space group. The structure consists of one 7440-28-0 atom inside a MgTlPb16(O4Br9)2 framework. In the MgTlPb16(O4Br9)2 framework, Mg(1) is bonded in a 5-coordinate geometry to one Tl(1), one Br(11), one Br(12), one Br(16), and one Br(6) atom. Tl(1) is bonded in a 6-coordinate geometry to one Mg(1), one Pb(15), one Br(1), one Br(13), one Br(15), and one Br(5) atom. There are sixteen inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 1-coordinate geometry to one O(7), one Br(13), one Br(17), and one Br(4) atom. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(6) atom. In the third Pb site, Pb(3) is bonded in a 1-coordinate geometry to one O(3), one Br(10), one Br(3), and one Br(5) atom. In the fourth Pb site, Pb(4) is bonded in a 3-coordinate geometry to one O(1), one O(6), one O(7), and one Br(14) atom. In the fifth Pb site, Pb(5) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(7), and one Br(17) atom. In the sixth Pb site, Pb(6) is bonded in a 3-coordinate geometry to one O(4), one O(5), one O(8), and one Br(10) atom. In the seventh Pb site, Pb(7) is bonded in a distorted single-bond geometry to one O(8), one Br(10), one Br(12), and one Br(8) atom. In the eighth Pb site, Pb(8) is bonded in a 1-coordinate geometry to one O(5), one Br(1), and one Br(17) atom. In the ninth Pb site, Pb(9) is bonded in a 3-coordinate geometry to one O(3), one O(4), and one O(8) atom. In the tenth Pb site, Pb(10) is bonded in a 1-coordinate geometry to one O(6), one Br(5), one Br(6), and one Br(7) atom. In the eleventh Pb site, Pb(11) is bonded in a 1-coordinate geometry to one O(1), one Br(11), one Br(14), and one Br(9) atom. In the twelfth Pb site, Pb(12) is bonded in a 3-coordinate geometry to one O(3), one O(5), one O(8), and one Br(15) atom. In the thirteenth Pb site, Pb(13) is bonded in a 3-coordinate geometry to one O(2), one O(6), one O(7), and one Br(5) atom. In the fourteenth Pb site, Pb(14) is bonded in a 1-coordinate geometry to one O(2), one Br(15), one Br(18), and one Br(2) atom. In the fifteenth Pb site, Pb(15) is bonded in a 2-coordinate geometry to one Tl(1), one O(3), one O(5), and one Br(4) atom. In the sixteenth Pb site, Pb(16) is bonded in a distorted single-bond geometry to one O(4), one Br(14), one Br(16), and one Br(4) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Pb(11), one Pb(2), one Pb(4), and one Pb(5) atom to form edge-sharing OPb4 tetrahedra. In the second O site, O(2) is bonded to one Pb(13), one Pb(14), one Pb(2), and one Pb(5) atom to form OPb4 tetrahedra that share  a cornercorner with one Br(5)TlPb3 tetrahedra,  an edgeedge with one O(1)Pb4 tetrahedra,  an edgeedge with one O(6)Pb4 tetrahedra, and  an edgeedge with one O(7)Pb4 tetrahedra. In the third O site, O(3) is bonded to one Pb(12), one Pb(15), one Pb(3), and one Pb(9) atom to form OPb4 tetrahedra that share  a cornercorner with one Br(5)TlPb3 tetrahedra,  an edgeedge with one O(5)Pb4 tetrahedra, and  an edgeedge with one O(8)Pb4 tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Pb(16), one Pb(6), and one Pb(9) atom. In the fifth O site, O(5) is bonded to one Pb(12), one Pb(15), one Pb(6), and one Pb(8) atom to form edge-sharing OPb4 tetrahedra. In the sixth O site, O(6) is bonded to one Pb(10), one Pb(13), one Pb(2), and one Pb(4) atom to form OPb4 tetrahedra that share  an edgeedge with one O(1)Pb4 tetrahedra,  an edgeedge with one O(2)Pb4 tetrahedra,  an edgeedge with one O(7)Pb4 tetrahedra, and  an edgeedge with one Br(5)TlPb3 tetrahedra. In the seventh O site, O(7) is bonded to one Pb(1), one Pb(13), one Pb(4), and one Pb(5) atom to form OPb4 tetrahedra that share  a cornercorner with one Br(5)TlPb3 tetrahedra,  an edgeedge with one O(1)Pb4 tetrahedra,  an edgeedge with one O(2)Pb4 tetrahedra, and  an edgeedge with one O(6)Pb4 tetrahedra. In the eighth O site, O(8) is bonded to one Pb(12), one Pb(6), one Pb(7), and one Pb(9) atom to form edge-sharing OPb4 tetrahedra. There are eighteen inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted bent 120 degrees geometry to one Tl(1) and one Pb(8) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Pb(14) atom. In the third Br site, Br(3) is bonded in a single-bond geometry to one Pb(3) atom. In the fourth Br site, Br(4) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(15), and one Pb(16) atom. In the fifth Br site, Br(5) is bonded to one Tl(1), one Pb(10), one Pb(13), and one Pb(3) atom to form distorted BrTlPb3 tetrahedra that share  a cornercorner with one O(2)Pb4 tetrahedra,  a cornercorner with one O(3)Pb4 tetrahedra,  a cornercorner with one O(7)Pb4 tetrahedra, and  an edgeedge with one O(6)Pb4 tetrahedra. In the sixth Br site, Br(6) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one Pb(10) atom. In the seventh Br site, Br(7) is bonded in a single-bond geometry to one Pb(10) atom. In the eighth Br site, Br(8) is bonded in a single-bond geometry to one Pb(7) atom. In the ninth Br site, Br(9) is bonded in a distorted single-bond geometry to one Pb(11) atom. In the tenth Br site, Br(10) is bonded in a 3-coordinate geometry to one Pb(3), one Pb(6), and one Pb(7) atom. In the eleventh Br site, Br(11) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Pb(11) atom. In the twelfth Br site, Br(12) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Pb(7) atom. In the thirteenth Br site, Br(13) is bonded in a bent 120 degrees geometry to one Tl(1) and one Pb(1) atom. In the fourteenth Br site, Br(14) is bonded in a 3-coordinate geometry to one Pb(11), one Pb(16), and one Pb(4) atom. In the fifteenth Br site, Br(15) is bonded in a distorted trigonal planar geometry to one Tl(1), one Pb(12), and one Pb(14) atom. In the sixteenth Br site, Br(16) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Pb(16) atom. In the seventeenth Br site, Br(17) is bonded in a 3-coordinate geometry to one Pb(1), one Pb(5), and one Pb(8) atom. In the eighteenth Br site, Br(18) is bonded in a 1-coordinate geometry to one Pb(14) 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   8.490
_cell_length_b   12.687
_cell_length_c   12.874
_cell_angle_alpha   90.900
_cell_angle_beta   88.516
_cell_angle_gamma   89.829
_symmetry_Int_Tables_number   1
_cell_volume   1386.107
_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  0.675  0.786  0.640  1.0
  Tl  Tl1  1  0.639  0.736  0.856  1.0
  Tl  Tl2  1  0.335  0.247  0.253  1.0
  Pb  Pb3  1  0.814  0.332  0.976  1.0
  Pb  Pb4  1  0.354  0.195  0.614  1.0
  Pb  Pb5  1  0.176  0.656  0.034  1.0
  Pb  Pb6  1  0.643  0.387  0.694  1.0
  Pb  Pb7  1  0.640  0.117  0.800  1.0
  Pb  Pb8  1  0.651  0.811  0.367  1.0
  Pb  Pb9  1  0.185  0.843  0.466  1.0
  Pb  Pb10  1  0.822  0.983  0.160  1.0
  Pb  Pb11  1  0.363  0.615  0.303  1.0
  Pb  Pb12  1  0.182  0.483  0.663  1.0
  Pb  Pb13  1  0.816  0.171  0.511  1.0
  Pb  Pb14  1  0.364  0.877  0.181  1.0
  Pb  Pb15  1  0.346  0.309  0.882  1.0
  Pb  Pb16  1  0.163  0.032  0.833  1.0
  Pb  Pb17  1  0.667  0.687  0.093  1.0
  Pb  Pb18  1  0.817  0.524  0.329  1.0
  Br  Br19  1  0.910  0.874  0.965  1.0
  Br  Br20  1  0.114  0.145  0.031  1.0
  Br  Br21  1  0.111  0.455  0.135  1.0
  Br  Br22  1  0.601  0.433  0.134  1.0
  Br  Br23  1  0.368  0.560  0.863  1.0
  Br  Br24  1  0.401  0.634  0.566  1.0
  Br  Br25  1  0.111  0.362  0.466  1.0
  Br  Br26  1  0.121  0.043  0.359  1.0
  Br  Br27  1  0.603  0.076  0.361  1.0
  Br  Br28  1  0.011  0.756  0.255  1.0
  Br  Br29  1  0.872  0.955  0.618  1.0
  Br  Br30  1  0.428  0.926  0.616  1.0
  Br  Br31  1  0.889  0.532  0.871  1.0
  Br  Br32  1  0.617  0.366  0.435  1.0
  Br  Br33  1  0.365  0.884  0.929  1.0
  Br  Br34  1  0.881  0.656  0.540  1.0
  Br  Br35  1  0.608  0.129  0.061  1.0
  Br  Br36  1  0.991  0.250  0.745  1.0
  O  O37  1  0.626  0.206  0.639  1.0
  O  O38  1  0.369  0.144  0.792  1.0
  O  O39  1  0.387  0.695  0.137  1.0
  O  O40  1  0.624  0.640  0.314  1.0
  O  O41  1  0.635  0.855  0.189  1.0
  O  O42  1  0.370  0.358  0.700  1.0
  O  O43  1  0.620  0.298  0.855  1.0
  O  O44  1  0.379  0.800  0.347  1.0
[/CIF]
.