The material structure described by MgTl4(MoO4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form MgO4 tetrahedra that share corners with two equivalent Mo(1)O4 tetrahedra and  an edgeedge with one Mo(2)O4 tetrahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form MoO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra. In the second Mo site, Mo(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form MoO4 tetrahedra that share  an edgeedge with one Mg(1)O4 tetrahedra. There are four inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(3), and one O(7) atom. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(4) atom. In the third Tl site, Tl(3) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(5), and one O(7) atom. In the fourth Tl site, Tl(4) is bonded in a distorted T-shaped geometry to one O(2), one O(4), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Mo(1), one Tl(1), and one Tl(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mo(2), one Tl(2), and one Tl(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mo(1), one Tl(1), and one Tl(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Mo(2), one Tl(2), and one Tl(4) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Mg(1), one Mo(1), and one Tl(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Mo(2), and one Tl(4) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mo(2), one Tl(1), and one Tl(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_MgTl4(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.373
_cell_length_b   6.818
_cell_length_c   8.269
_cell_angle_alpha   85.470
_cell_angle_beta   90.241
_cell_angle_gamma   63.379
_symmetry_Int_Tables_number   1
_cell_volume   319.890
_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  0.870  0.360  0.484  1.0
  Tl  Tl1  1  0.614  0.731  0.170  1.0
  Tl  Tl2  1  0.305  0.361  0.818  1.0
  Tl  Tl3  1  0.036  0.824  0.478  1.0
  Tl  Tl4  1  0.992  0.007  0.963  1.0
  Mo  Mo5  1  0.397  0.320  0.286  1.0
  Mo  Mo6  1  0.660  0.663  0.729  1.0
  O  O7  1  0.275  0.621  0.227  1.0
  O  O8  1  0.359  0.750  0.792  1.0
  O  O9  1  0.404  0.148  0.119  1.0
  O  O10  1  0.864  0.743  0.825  1.0
  O  O11  1  0.714  0.237  0.348  1.0
  O  O12  1  0.813  0.348  0.723  1.0
  O  O13  1  0.694  0.689  0.496  1.0
  O  O14  1  0.192  0.301  0.440  1.0
[/CIF]
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The material structure described by MgTl4(MoO4)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form MgO4 tetrahedra that share corners with two equivalent Mo(1)O4 tetrahedra and  an edgeedge with one Mo(2)O4 tetrahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form MoO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra. In the second Mo site, Mo(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form MoO4 tetrahedra that share  an edgeedge with one Mg(1)O4 tetrahedra. There are four inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(3), and one O(7) atom. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(4) atom. In the third Tl site, Tl(3) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(5), and one O(7) atom. In the fourth Tl site, Tl(4) is bonded in a distorted T-shaped geometry to one O(2), one O(4), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Mo(1), one Tl(1), and one Tl(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mo(2), one Tl(2), and one Tl(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mo(1), one Tl(1), and one Tl(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Mo(2), one Tl(2), and one Tl(4) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Mg(1), one Mo(1), and one Tl(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Mo(2), and one Tl(4) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mo(2), one Tl(1), and one Tl(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(1) atom. is represented by the CIF card [CIF]
data_MgTl4(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.373
_cell_length_b   6.818
_cell_length_c   8.269
_cell_angle_alpha   85.470
_cell_angle_beta   90.241
_cell_angle_gamma   63.379
_symmetry_Int_Tables_number   1
_cell_volume   319.890
_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  0.870  0.360  0.484  1.0
  Tl  Tl1  1  0.614  0.731  0.170  1.0
  Tl  Tl2  1  0.305  0.361  0.818  1.0
  Tl  Tl3  1  0.036  0.824  0.478  1.0
  Tl  Tl4  1  0.992  0.007  0.963  1.0
  Mo  Mo5  1  0.397  0.320  0.286  1.0
  Mo  Mo6  1  0.660  0.663  0.729  1.0
  O  O7  1  0.275  0.621  0.227  1.0
  O  O8  1  0.359  0.750  0.792  1.0
  O  O9  1  0.404  0.148  0.119  1.0
  O  O10  1  0.864  0.743  0.825  1.0
  O  O11  1  0.714  0.237  0.348  1.0
  O  O12  1  0.813  0.348  0.723  1.0
  O  O13  1  0.694  0.689  0.496  1.0
  O  O14  1  0.192  0.301  0.440  1.0
[/CIF]
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