The material described by Ca3Tl crystallizes in the hexagonal P6_3/mmc space group. Ca(1) is bonded in a 4-coordinate geometry to four equivalent Tl(1) atoms. Tl(1) is bonded to twelve equivalent Ca(1) atoms to form a mixture of corner and face-sharing TlCa12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.376
_cell_length_b   7.376
_cell_length_c   5.569
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   262.366
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.176  0.353  0.250  1.0
  Ca  Ca1  1  0.647  0.824  0.250  1.0
  Ca  Ca2  1  0.176  0.824  0.250  1.0
  Ca  Ca3  1  0.824  0.647  0.750  1.0
  Ca  Ca4  1  0.353  0.176  0.750  1.0
  Ca  Ca5  1  0.824  0.176  0.750  1.0
  Tl  Tl6  1  0.333  0.667  0.750  1.0
  Tl  Tl7  1  0.667  0.333  0.250  1.0
[/CIF]
.
The material described by Ca3Tl crystallizes in the hexagonal P6_3/mmc space group. Ca(1) is bonded in a 4-coordinate geometry to four equivalent Tl(1) atoms. Tl(1) is bonded to twelve equivalent Ca(1) atoms to form a mixture of corner and face-sharing TlCa12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.376
_cell_length_b   7.376
_cell_length_c   5.569
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   262.366
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.176  0.353  0.250  1.0
  Ca  Ca1  1  0.647  0.824  0.250  1.0
  Ca  Ca2  1  0.176  0.824  0.250  1.0
  Ca  Ca3  1  0.824  0.647  0.750  1.0
  Ca  Ca4  1  0.353  0.176  0.750  1.0
  Ca  Ca5  1  0.824  0.176  0.750  1.0
  Tl  Tl6  1  0.333  0.667  0.750  1.0
  Tl  Tl7  1  0.667  0.333  0.250  1.0
[/CIF]
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