The structure described by TlCaCl3 is (Cubic) Perovskite structured and crystallizes in the monoclinic Cm space group. The structure consists of two 7440-28-0 atoms inside a CaCl3 framework. In the CaCl3 framework, Ca(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form corner-sharing CaCl6 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a linear geometry to two equivalent Ca(1) atoms. In the second Cl site, Cl(2) is bonded in a linear geometry to two equivalent Ca(1) atoms. is represented by the CIF file [CIF]
data_CaTlCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.400
_cell_length_b   5.400
_cell_length_c   5.398
_cell_angle_alpha   89.987
_cell_angle_beta   89.987
_cell_angle_gamma   90.024
_symmetry_Int_Tables_number   1
_cell_volume   157.401
_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
  Ca  Ca0  1  0.505  0.505  0.485  1.0
  Tl  Tl1  1  0.008  0.008  0.003  1.0
  Cl  Cl2  1  0.503  0.005  0.482  1.0
  Cl  Cl3  1  0.493  0.493  0.985  1.0
  Cl  Cl4  1  0.005  0.503  0.482  1.0
[/CIF]
.
The structure described by TlCaCl3 is (Cubic) Perovskite structured and crystallizes in the monoclinic Cm space group. The structure consists of two 7440-28-0 atoms inside a CaCl3 framework. In the CaCl3 framework, Ca(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form corner-sharing CaCl6 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a linear geometry to two equivalent Ca(1) atoms. In the second Cl site, Cl(2) is bonded in a linear geometry to two equivalent Ca(1) atoms. is represented by the CIF file [CIF]
data_CaTlCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.400
_cell_length_b   5.400
_cell_length_c   5.398
_cell_angle_alpha   89.987
_cell_angle_beta   89.987
_cell_angle_gamma   90.024
_symmetry_Int_Tables_number   1
_cell_volume   157.401
_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
  Ca  Ca0  1  0.505  0.505  0.485  1.0
  Tl  Tl1  1  0.008  0.008  0.003  1.0
  Cl  Cl2  1  0.503  0.005  0.482  1.0
  Cl  Cl3  1  0.493  0.493  0.985  1.0
  Cl  Cl4  1  0.005  0.503  0.482  1.0
[/CIF]
.