The material described by MgCu2Tl2H2(SeO5)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to one O(6) and two equivalent O(3) atoms. Cu(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(7), and one O(8) atom. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted T-shaped geometry to one O(1) and two equivalent O(4) atoms. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(3) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(5) and two equivalent O(3) atoms. In the second Se site, Se(2) is bonded in a tetrahedral geometry to one O(6), one O(8), and two equivalent O(4) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cu(1), one Tl(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Cu(1), one Tl(2), and one H(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Tl(2), and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Tl(1) and one Se(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Se(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mg(1) and one Se(2) atom. In the seventh O site, O(7) is bonded in an L-shaped geometry to two equivalent Cu(1) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one Se(2) atom. is represented by the CIF file [CIF]
data_MgTl2Cu2H2(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.385
_cell_length_b   5.781
_cell_length_c   5.604
_cell_angle_alpha   90.000
_cell_angle_beta   97.691
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   333.382
_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  0.442  0.750  0.589  1.0
  Tl  Tl1  1  0.629  0.250  0.028  1.0
  Tl  Tl2  1  0.303  0.750  0.078  1.0
  Cu  Cu3  1  0.972  0.478  0.967  1.0
  Cu  Cu4  1  0.972  0.022  0.967  1.0
  H  H5  1  0.833  0.250  0.647  1.0
  H  H6  1  0.061  0.750  0.283  1.0
  Se  Se7  1  0.286  0.250  0.538  1.0
  Se  Se8  1  0.765  0.750  0.521  1.0
  O  O9  1  0.845  0.250  0.825  1.0
  O  O10  1  0.062  0.750  0.108  1.0
  O  O11  1  0.347  0.494  0.713  1.0
  O  O12  1  0.772  0.990  0.362  1.0
  O  O13  1  0.772  0.510  0.362  1.0
  O  O14  1  0.347  0.006  0.713  1.0
  O  O15  1  0.387  0.250  0.328  1.0
  O  O16  1  0.628  0.750  0.656  1.0
  O  O17  1  0.070  0.250  0.139  1.0
  O  O18  1  0.891  0.750  0.759  1.0
[/CIF]
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The material described by MgCu2Tl2H2(SeO5)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to one O(6) and two equivalent O(3) atoms. Cu(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(7), and one O(8) atom. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted T-shaped geometry to one O(1) and two equivalent O(4) atoms. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(3) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(5) and two equivalent O(3) atoms. In the second Se site, Se(2) is bonded in a tetrahedral geometry to one O(6), one O(8), and two equivalent O(4) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cu(1), one Tl(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Cu(1), one Tl(2), and one H(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Tl(2), and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Tl(1) and one Se(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Se(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mg(1) and one Se(2) atom. In the seventh O site, O(7) is bonded in an L-shaped geometry to two equivalent Cu(1) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one Se(2) atom. is represented by the CIF file [CIF]
data_MgTl2Cu2H2(SeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.385
_cell_length_b   5.781
_cell_length_c   5.604
_cell_angle_alpha   90.000
_cell_angle_beta   97.691
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   333.382
_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  0.442  0.750  0.589  1.0
  Tl  Tl1  1  0.629  0.250  0.028  1.0
  Tl  Tl2  1  0.303  0.750  0.078  1.0
  Cu  Cu3  1  0.972  0.478  0.967  1.0
  Cu  Cu4  1  0.972  0.022  0.967  1.0
  H  H5  1  0.833  0.250  0.647  1.0
  H  H6  1  0.061  0.750  0.283  1.0
  Se  Se7  1  0.286  0.250  0.538  1.0
  Se  Se8  1  0.765  0.750  0.521  1.0
  O  O9  1  0.845  0.250  0.825  1.0
  O  O10  1  0.062  0.750  0.108  1.0
  O  O11  1  0.347  0.494  0.713  1.0
  O  O12  1  0.772  0.990  0.362  1.0
  O  O13  1  0.772  0.510  0.362  1.0
  O  O14  1  0.347  0.006  0.713  1.0
  O  O15  1  0.387  0.250  0.328  1.0
  O  O16  1  0.628  0.750  0.656  1.0
  O  O17  1  0.070  0.250  0.139  1.0
  O  O18  1  0.891  0.750  0.759  1.0
[/CIF]
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