The material structure described by KCoCl3 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R3c space group. K(1) is bonded in a 9-coordinate geometry to nine equivalent Cl(1) atoms. Co(1) is bonded to six equivalent Cl(1) atoms to form corner-sharing CoCl6 octahedra. The corner-sharing octahedral tilt angles are 15°. Cl(1) is bonded in a 5-coordinate geometry to three equivalent K(1) and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_KCoCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.888
_cell_length_b   6.888
_cell_length_c   6.888
_cell_angle_alpha   60.596
_cell_angle_beta   60.596
_cell_angle_gamma   60.596
_symmetry_Int_Tables_number   1
_cell_volume   234.190
_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
  K  K0  1  0.740  0.740  0.740  1.0
  K  K1  1  0.240  0.240  0.240  1.0
  Co  Co2  1  0.995  0.995  0.995  1.0
  Co  Co3  1  0.495  0.495  0.495  1.0
  Cl  Cl4  1  0.746  0.200  0.291  1.0
  Cl  Cl5  1  0.200  0.291  0.746  1.0
  Cl  Cl6  1  0.291  0.746  0.200  1.0
  Cl  Cl7  1  0.791  0.700  0.246  1.0
  Cl  Cl8  1  0.246  0.791  0.700  1.0
  Cl  Cl9  1  0.700  0.246  0.791  1.0
[/CIF]
.
The material structure described by KCoCl3 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R3c space group. K(1) is bonded in a 9-coordinate geometry to nine equivalent Cl(1) atoms. Co(1) is bonded to six equivalent Cl(1) atoms to form corner-sharing CoCl6 octahedra. The corner-sharing octahedral tilt angles are 15°. Cl(1) is bonded in a 5-coordinate geometry to three equivalent K(1) and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_KCoCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.888
_cell_length_b   6.888
_cell_length_c   6.888
_cell_angle_alpha   60.596
_cell_angle_beta   60.596
_cell_angle_gamma   60.596
_symmetry_Int_Tables_number   1
_cell_volume   234.190
_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
  K  K0  1  0.740  0.740  0.740  1.0
  K  K1  1  0.240  0.240  0.240  1.0
  Co  Co2  1  0.995  0.995  0.995  1.0
  Co  Co3  1  0.495  0.495  0.495  1.0
  Cl  Cl4  1  0.746  0.200  0.291  1.0
  Cl  Cl5  1  0.200  0.291  0.746  1.0
  Cl  Cl6  1  0.291  0.746  0.200  1.0
  Cl  Cl7  1  0.791  0.700  0.246  1.0
  Cl  Cl8  1  0.246  0.791  0.700  1.0
  Cl  Cl9  1  0.700  0.246  0.791  1.0
[/CIF]
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