The structure described by KNiCl3 crystallizes in the hexagonal P6_3cm space group. K(1) is bonded in a 9-coordinate geometry to three equivalent Cl(2) and six equivalent Cl(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to six equivalent Cl(2) atoms to form face-sharing NiCl6 octahedra. In the second Ni site, Ni(2) is bonded to six equivalent Cl(1) atoms to form face-sharing NiCl6 octahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 5-coordinate geometry to three equivalent K(1) and two equivalent Ni(2) atoms. In the second Cl site, Cl(2) is bonded to three equivalent K(1) and two equivalent Ni(1) atoms to form a mixture of distorted edge, face, and corner-sharing ClK3Ni2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_KNiCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.808
_cell_length_b   11.808
_cell_length_c   5.922
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   715.076
_cell_formula_units_Z   6
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  0.335  0.335  0.330  1.0
  K  K1  1  1.000  0.335  0.830  1.0
  K  K2  1  0.335  0.000  0.830  1.0
  K  K3  1  0.665  1.000  0.330  1.0
  K  K4  1  0.000  0.665  0.330  1.0
  K  K5  1  0.665  0.665  0.830  1.0
  Ni  Ni6  1  0.000  1.000  0.008  1.0
  Ni  Ni7  1  0.000  1.000  0.508  1.0
  Ni  Ni8  1  0.333  0.667  0.131  1.0
  Ni  Ni9  1  0.667  0.333  0.631  1.0
  Ni  Ni10  1  0.333  0.667  0.631  1.0
  Ni  Ni11  1  0.667  0.333  0.131  1.0
  Cl  Cl12  1  0.494  0.667  0.383  1.0
  Cl  Cl13  1  0.333  0.826  0.383  1.0
  Cl  Cl14  1  0.174  0.506  0.383  1.0
  Cl  Cl15  1  0.826  0.494  0.883  1.0
  Cl  Cl16  1  0.506  0.333  0.883  1.0
  Cl  Cl17  1  0.667  0.174  0.883  1.0
  Cl  Cl18  1  0.494  0.826  0.883  1.0
  Cl  Cl19  1  0.667  0.494  0.383  1.0
  Cl  Cl20  1  0.826  0.333  0.383  1.0
  Cl  Cl21  1  0.174  0.667  0.883  1.0
  Cl  Cl22  1  0.333  0.506  0.883  1.0
  Cl  Cl23  1  0.506  0.174  0.383  1.0
  Cl  Cl24  1  0.160  0.000  0.255  1.0
  Cl  Cl25  1  0.160  0.160  0.755  1.0
  Cl  Cl26  1  0.000  0.840  0.755  1.0
  Cl  Cl27  1  1.000  0.160  0.255  1.0
  Cl  Cl28  1  0.840  0.840  0.255  1.0
  Cl  Cl29  1  0.840  0.000  0.755  1.0
[/CIF]
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The structure described by KNiCl3 crystallizes in the hexagonal P6_3cm space group. K(1) is bonded in a 9-coordinate geometry to three equivalent Cl(2) and six equivalent Cl(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to six equivalent Cl(2) atoms to form face-sharing NiCl6 octahedra. In the second Ni site, Ni(2) is bonded to six equivalent Cl(1) atoms to form face-sharing NiCl6 octahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 5-coordinate geometry to three equivalent K(1) and two equivalent Ni(2) atoms. In the second Cl site, Cl(2) is bonded to three equivalent K(1) and two equivalent Ni(1) atoms to form a mixture of distorted edge, face, and corner-sharing ClK3Ni2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_KNiCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.808
_cell_length_b   11.808
_cell_length_c   5.922
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   715.076
_cell_formula_units_Z   6
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  0.335  0.335  0.330  1.0
  K  K1  1  1.000  0.335  0.830  1.0
  K  K2  1  0.335  0.000  0.830  1.0
  K  K3  1  0.665  1.000  0.330  1.0
  K  K4  1  0.000  0.665  0.330  1.0
  K  K5  1  0.665  0.665  0.830  1.0
  Ni  Ni6  1  0.000  1.000  0.008  1.0
  Ni  Ni7  1  0.000  1.000  0.508  1.0
  Ni  Ni8  1  0.333  0.667  0.131  1.0
  Ni  Ni9  1  0.667  0.333  0.631  1.0
  Ni  Ni10  1  0.333  0.667  0.631  1.0
  Ni  Ni11  1  0.667  0.333  0.131  1.0
  Cl  Cl12  1  0.494  0.667  0.383  1.0
  Cl  Cl13  1  0.333  0.826  0.383  1.0
  Cl  Cl14  1  0.174  0.506  0.383  1.0
  Cl  Cl15  1  0.826  0.494  0.883  1.0
  Cl  Cl16  1  0.506  0.333  0.883  1.0
  Cl  Cl17  1  0.667  0.174  0.883  1.0
  Cl  Cl18  1  0.494  0.826  0.883  1.0
  Cl  Cl19  1  0.667  0.494  0.383  1.0
  Cl  Cl20  1  0.826  0.333  0.383  1.0
  Cl  Cl21  1  0.174  0.667  0.883  1.0
  Cl  Cl22  1  0.333  0.506  0.883  1.0
  Cl  Cl23  1  0.506  0.174  0.383  1.0
  Cl  Cl24  1  0.160  0.000  0.255  1.0
  Cl  Cl25  1  0.160  0.160  0.755  1.0
  Cl  Cl26  1  0.000  0.840  0.755  1.0
  Cl  Cl27  1  1.000  0.160  0.255  1.0
  Cl  Cl28  1  0.840  0.840  0.255  1.0
  Cl  Cl29  1  0.840  0.000  0.755  1.0
[/CIF]
.