The compound described by RbNiCl3 crystallizes in the hexagonal P6_3/mmc space group. Rb(1) is bonded to twelve equivalent Cl(1) atoms to form RbCl12 cuboctahedra that share corners with six equivalent Rb(1)Cl12 cuboctahedra, corners with six equivalent Ni(1)Cl6 octahedra, faces with eight equivalent Rb(1)Cl12 cuboctahedra, and faces with six equivalent Ni(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 16°. Ni(1) is bonded to six equivalent Cl(1) atoms to form NiCl6 octahedra that share corners with six equivalent Rb(1)Cl12 cuboctahedra, faces with six equivalent Rb(1)Cl12 cuboctahedra, and faces with two equivalent Ni(1)Cl6 octahedra. Cl(1) is bonded to four equivalent Rb(1) and two equivalent Ni(1) atoms to form a mixture of distorted corner, edge, and face-sharing ClRb4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-72°. is represented by the CIF card [CIF]
data_RbNiCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.973
_cell_length_b   6.973
_cell_length_c   5.890
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   247.981
_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
  Rb  Rb0  1  0.667  0.333  0.250  1.0
  Rb  Rb1  1  0.333  0.667  0.750  1.0
  Ni  Ni2  1  0.000  0.000  0.500  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
  Cl  Cl4  1  0.843  0.685  0.750  1.0
  Cl  Cl5  1  0.157  0.843  0.250  1.0
  Cl  Cl6  1  0.685  0.843  0.250  1.0
  Cl  Cl7  1  0.315  0.157  0.750  1.0
  Cl  Cl8  1  0.157  0.315  0.250  1.0
  Cl  Cl9  1  0.843  0.157  0.750  1.0
[/CIF]
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The compound described by RbNiCl3 crystallizes in the hexagonal P6_3/mmc space group. Rb(1) is bonded to twelve equivalent Cl(1) atoms to form RbCl12 cuboctahedra that share corners with six equivalent Rb(1)Cl12 cuboctahedra, corners with six equivalent Ni(1)Cl6 octahedra, faces with eight equivalent Rb(1)Cl12 cuboctahedra, and faces with six equivalent Ni(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 16°. Ni(1) is bonded to six equivalent Cl(1) atoms to form NiCl6 octahedra that share corners with six equivalent Rb(1)Cl12 cuboctahedra, faces with six equivalent Rb(1)Cl12 cuboctahedra, and faces with two equivalent Ni(1)Cl6 octahedra. Cl(1) is bonded to four equivalent Rb(1) and two equivalent Ni(1) atoms to form a mixture of distorted corner, edge, and face-sharing ClRb4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-72°. is represented by the CIF card [CIF]
data_RbNiCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.973
_cell_length_b   6.973
_cell_length_c   5.890
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   247.981
_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
  Rb  Rb0  1  0.667  0.333  0.250  1.0
  Rb  Rb1  1  0.333  0.667  0.750  1.0
  Ni  Ni2  1  0.000  0.000  0.500  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
  Cl  Cl4  1  0.843  0.685  0.750  1.0
  Cl  Cl5  1  0.157  0.843  0.250  1.0
  Cl  Cl6  1  0.685  0.843  0.250  1.0
  Cl  Cl7  1  0.315  0.157  0.750  1.0
  Cl  Cl8  1  0.157  0.315  0.250  1.0
  Cl  Cl9  1  0.843  0.157  0.750  1.0
[/CIF]
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