The crystal structure described by MgTlAl(MoO4)2 crystallizes in the trigonal P3m1 space group. Mg(1) is bonded in a 3-coordinate geometry to one Tl(1) and three equivalent O(2) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(4) and three equivalent O(1) atoms to form MoO4 tetrahedra that share corners with three equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 23°. In the second Mo site, Mo(2) is bonded to one O(3) and three equivalent O(2) atoms to form MoO4 tetrahedra that share corners with three equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 21°. Tl(1) is bonded in a 4-coordinate geometry to one Mg(1) and three equivalent O(1) atoms. Al(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form AlO6 octahedra that share corners with three equivalent Mo(1)O4 tetrahedra and corners with three equivalent Mo(2)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mo(1), one Tl(1), and one Al(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(2), and one Al(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Mo(2) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgAlTl(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.759
_cell_length_b   5.759
_cell_length_c   8.705
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   250.049
_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  0.000  0.000  0.727  1.0
  Al  Al1  1  0.000  0.000  0.015  1.0
  Tl  Tl2  1  0.000  0.000  0.391  1.0
  Mo  Mo3  1  0.667  0.333  0.207  1.0
  Mo  Mo4  1  0.333  0.667  0.810  1.0
  O  O5  1  0.845  0.155  0.153  1.0
  O  O6  1  0.845  0.691  0.153  1.0
  O  O7  1  0.309  0.155  0.153  1.0
  O  O8  1  0.705  0.853  0.878  1.0
  O  O9  1  0.333  0.667  0.599  1.0
  O  O10  1  0.667  0.333  0.408  1.0
  O  O11  1  0.147  0.853  0.878  1.0
  O  O12  1  0.147  0.295  0.878  1.0
[/CIF]
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The crystal structure described by MgTlAl(MoO4)2 crystallizes in the trigonal P3m1 space group. Mg(1) is bonded in a 3-coordinate geometry to one Tl(1) and three equivalent O(2) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(4) and three equivalent O(1) atoms to form MoO4 tetrahedra that share corners with three equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 23°. In the second Mo site, Mo(2) is bonded to one O(3) and three equivalent O(2) atoms to form MoO4 tetrahedra that share corners with three equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 21°. Tl(1) is bonded in a 4-coordinate geometry to one Mg(1) and three equivalent O(1) atoms. Al(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form AlO6 octahedra that share corners with three equivalent Mo(1)O4 tetrahedra and corners with three equivalent Mo(2)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mo(1), one Tl(1), and one Al(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(2), and one Al(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Mo(2) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgAlTl(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.759
_cell_length_b   5.759
_cell_length_c   8.705
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   250.049
_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  0.000  0.000  0.727  1.0
  Al  Al1  1  0.000  0.000  0.015  1.0
  Tl  Tl2  1  0.000  0.000  0.391  1.0
  Mo  Mo3  1  0.667  0.333  0.207  1.0
  Mo  Mo4  1  0.333  0.667  0.810  1.0
  O  O5  1  0.845  0.155  0.153  1.0
  O  O6  1  0.845  0.691  0.153  1.0
  O  O7  1  0.309  0.155  0.153  1.0
  O  O8  1  0.705  0.853  0.878  1.0
  O  O9  1  0.333  0.667  0.599  1.0
  O  O10  1  0.667  0.333  0.408  1.0
  O  O11  1  0.147  0.853  0.878  1.0
  O  O12  1  0.147  0.295  0.878  1.0
[/CIF]
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