The material structure described by MgTi2W2Tl(O5F)2Tl crystallizes in the monoclinic Cm space group. The structure consists of two 7440-28-0 atoms inside a MgTi2W2Tl(O5F)2 framework. In the MgTi2W2Tl(O5F)2 framework, Mg(1) is bonded in a 4-coordinate geometry to one O(2), two equivalent O(4), and one F(2) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(6), one F(1), and one F(2) atom to form TiO4F2 octahedra that share corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-38°. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(4), one F(1), and one F(2) atom. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with two equivalent Ti(1)O4F2 octahedra and corners with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-53°. Tl(2) is bonded in a distorted single-bond geometry to one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one W(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent W(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(2) and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(2), and one W(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent W(1) and one Tl(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ti(1) and one W(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one Ti(2) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one Ti(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2Tl2W2(O5F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.610
_cell_length_b   7.506
_cell_length_c   7.506
_cell_angle_alpha   59.630
_cell_angle_beta   58.564
_cell_angle_gamma   58.564
_symmetry_Int_Tables_number   1
_cell_volume   295.608
_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  0.681  0.767  0.767  1.0
  Ti  Ti1  1  0.012  0.013  0.013  1.0
  Ti  Ti2  1  0.498  0.028  0.028  1.0
  Tl  Tl3  1  0.416  0.414  0.414  1.0
  Tl  Tl4  1  0.751  0.534  0.534  1.0
  W  W5  1  0.004  0.002  0.513  1.0
  W  W6  1  0.004  0.513  0.002  1.0
  O  O7  1  0.052  0.061  0.693  1.0
  O  O8  1  0.052  0.693  0.061  1.0
  O  O9  1  0.042  0.676  0.676  1.0
  O  O10  1  0.323  0.309  0.937  1.0
  O  O11  1  0.323  0.937  0.309  1.0
  O  O12  1  0.678  0.060  0.690  1.0
  O  O13  1  0.678  0.690  0.060  1.0
  O  O14  1  0.912  0.325  0.325  1.0
  O  O15  1  0.957  0.302  0.941  1.0
  O  O16  1  0.957  0.941  0.302  1.0
  F  F17  1  0.687  0.080  0.080  1.0
  F  F18  1  0.342  0.915  0.915  1.0
[/CIF]
.
The material structure described by MgTi2W2Tl(O5F)2Tl crystallizes in the monoclinic Cm space group. The structure consists of two 7440-28-0 atoms inside a MgTi2W2Tl(O5F)2 framework. In the MgTi2W2Tl(O5F)2 framework, Mg(1) is bonded in a 4-coordinate geometry to one O(2), two equivalent O(4), and one F(2) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(6), one F(1), and one F(2) atom to form TiO4F2 octahedra that share corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-38°. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(4), one F(1), and one F(2) atom. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with two equivalent Ti(1)O4F2 octahedra and corners with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-53°. Tl(2) is bonded in a distorted single-bond geometry to one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one W(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent W(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(2) and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(2), and one W(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent W(1) and one Tl(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ti(1) and one W(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one Ti(2) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(1), and one Ti(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2Tl2W2(O5F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.610
_cell_length_b   7.506
_cell_length_c   7.506
_cell_angle_alpha   59.630
_cell_angle_beta   58.564
_cell_angle_gamma   58.564
_symmetry_Int_Tables_number   1
_cell_volume   295.608
_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  0.681  0.767  0.767  1.0
  Ti  Ti1  1  0.012  0.013  0.013  1.0
  Ti  Ti2  1  0.498  0.028  0.028  1.0
  Tl  Tl3  1  0.416  0.414  0.414  1.0
  Tl  Tl4  1  0.751  0.534  0.534  1.0
  W  W5  1  0.004  0.002  0.513  1.0
  W  W6  1  0.004  0.513  0.002  1.0
  O  O7  1  0.052  0.061  0.693  1.0
  O  O8  1  0.052  0.693  0.061  1.0
  O  O9  1  0.042  0.676  0.676  1.0
  O  O10  1  0.323  0.309  0.937  1.0
  O  O11  1  0.323  0.937  0.309  1.0
  O  O12  1  0.678  0.060  0.690  1.0
  O  O13  1  0.678  0.690  0.060  1.0
  O  O14  1  0.912  0.325  0.325  1.0
  O  O15  1  0.957  0.302  0.941  1.0
  O  O16  1  0.957  0.941  0.302  1.0
  F  F17  1  0.687  0.080  0.080  1.0
  F  F18  1  0.342  0.915  0.915  1.0
[/CIF]
.