The structure described by Zr6CuBi2 crystallizes in the hexagonal P-62m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 5-coordinate geometry to one Cu(1) and four equivalent Bi(1) atoms. In the second Zr site, Zr(2) is bonded in a 4-coordinate geometry to two equivalent Cu(1) and two equivalent Bi(1) atoms. Cu(1) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Zr(2) atoms. Bi(1) is bonded in a 9-coordinate geometry to three equivalent Zr(2) and six equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_Zr6CuBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.834
_cell_length_b   7.834
_cell_length_c   3.808
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   202.397
_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
  Zr  Zr0  1  0.395  0.395  0.500  1.0
  Zr  Zr1  1  0.605  0.000  0.500  1.0
  Zr  Zr2  1  0.000  0.605  0.500  1.0
  Zr  Zr3  1  0.763  0.763  0.000  1.0
  Zr  Zr4  1  0.237  0.000  0.000  1.0
  Zr  Zr5  1  0.000  0.237  0.000  1.0
  Cu  Cu6  1  0.000  0.000  0.500  1.0
  Bi  Bi7  1  0.667  0.333  0.000  1.0
  Bi  Bi8  1  0.333  0.667  0.000  1.0
[/CIF]
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The structure described by Zr6CuBi2 crystallizes in the hexagonal P-62m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 5-coordinate geometry to one Cu(1) and four equivalent Bi(1) atoms. In the second Zr site, Zr(2) is bonded in a 4-coordinate geometry to two equivalent Cu(1) and two equivalent Bi(1) atoms. Cu(1) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Zr(2) atoms. Bi(1) is bonded in a 9-coordinate geometry to three equivalent Zr(2) and six equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_Zr6CuBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.834
_cell_length_b   7.834
_cell_length_c   3.808
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   202.397
_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
  Zr  Zr0  1  0.395  0.395  0.500  1.0
  Zr  Zr1  1  0.605  0.000  0.500  1.0
  Zr  Zr2  1  0.000  0.605  0.500  1.0
  Zr  Zr3  1  0.763  0.763  0.000  1.0
  Zr  Zr4  1  0.237  0.000  0.000  1.0
  Zr  Zr5  1  0.000  0.237  0.000  1.0
  Cu  Cu6  1  0.000  0.000  0.500  1.0
  Bi  Bi7  1  0.667  0.333  0.000  1.0
  Bi  Bi8  1  0.333  0.667  0.000  1.0
[/CIF]
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