The material described by Cs3Ni is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 12-coordinate geometry to four equivalent Cs(1), four equivalent Cs(2), and four equivalent Ni(1) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to eight equivalent Cs(1) atoms. Ni(1) is bonded in a 8-coordinate geometry to eight equivalent Cs(1) atoms. is represented by the CIF card [CIF]
data_Cs3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.576
_cell_length_b   7.576
_cell_length_c   7.576
_cell_angle_alpha   129.724
_cell_angle_beta   129.724
_cell_angle_gamma   73.849
_symmetry_Int_Tables_number   1
_cell_volume   250.882
_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
  Cs  Cs0  1  0.750  0.250  0.500  1.0
  Cs  Cs1  1  0.250  0.750  0.500  1.0
  Cs  Cs2  1  0.500  0.500  0.000  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Cs3Ni is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 12-coordinate geometry to four equivalent Cs(1), four equivalent Cs(2), and four equivalent Ni(1) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to eight equivalent Cs(1) atoms. Ni(1) is bonded in a 8-coordinate geometry to eight equivalent Cs(1) atoms. is represented by the CIF card [CIF]
data_Cs3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.576
_cell_length_b   7.576
_cell_length_c   7.576
_cell_angle_alpha   129.724
_cell_angle_beta   129.724
_cell_angle_gamma   73.849
_symmetry_Int_Tables_number   1
_cell_volume   250.882
_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
  Cs  Cs0  1  0.750  0.250  0.500  1.0
  Cs  Cs1  1  0.250  0.750  0.500  1.0
  Cs  Cs2  1  0.500  0.500  0.000  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
[/CIF]
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