The material structure described by Mo2CoTl crystallizes in the cubic F-43m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to four equivalent Mo(2) and four equivalent Tl(1) atoms to form distorted edge-sharing MoTl4Mo4 tetrahedra. In the second Mo site, Mo(2) is bonded in a 14-coordinate geometry to four equivalent Mo(1), four equivalent Co(1), and six equivalent Tl(1) atoms. Co(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mo(2) and four equivalent Tl(1) atoms. Tl(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mo(1), six equivalent Mo(2), and four equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlCoMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.504
_cell_length_b   4.504
_cell_length_c   4.504
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   64.619
_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
  Tl  Tl0  1  0.750  0.750  0.750  1.0
  Co  Co1  1  0.000  0.000  0.000  1.0
  Mo  Mo2  1  0.500  0.500  0.500  1.0
  Mo  Mo3  1  0.250  0.250  0.250  1.0
[/CIF]
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The material structure described by Mo2CoTl crystallizes in the cubic F-43m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to four equivalent Mo(2) and four equivalent Tl(1) atoms to form distorted edge-sharing MoTl4Mo4 tetrahedra. In the second Mo site, Mo(2) is bonded in a 14-coordinate geometry to four equivalent Mo(1), four equivalent Co(1), and six equivalent Tl(1) atoms. Co(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mo(2) and four equivalent Tl(1) atoms. Tl(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mo(1), six equivalent Mo(2), and four equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlCoMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.504
_cell_length_b   4.504
_cell_length_c   4.504
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   64.619
_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
  Tl  Tl0  1  0.750  0.750  0.750  1.0
  Co  Co1  1  0.000  0.000  0.000  1.0
  Mo  Mo2  1  0.500  0.500  0.500  1.0
  Mo  Mo3  1  0.250  0.250  0.250  1.0
[/CIF]
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