The compound described by BiZr crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 7-coordinate geometry to two equivalent Bi(1) and five equivalent Bi(2) atoms. In the second Zr site, Zr(2) is bonded to two equivalent Bi(2) and three equivalent Bi(1) atoms to form distorted corner-sharing ZrBi5 trigonal bipyramids. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to three equivalent Zr(2) and four equivalent Zr(1) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one Zr(2) and five equivalent Zr(1) atoms. is represented by the CIF file [CIF]
data_ZrBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.893
_cell_length_b   5.759
_cell_length_c   14.458
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.757
_symmetry_Int_Tables_number   1
_cell_volume   305.053
_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
  Zr  Zr0  1  0.071  0.143  0.891  1.0
  Zr  Zr1  1  0.929  0.857  0.109  1.0
  Zr  Zr2  1  0.929  0.857  0.391  1.0
  Zr  Zr3  1  0.071  0.143  0.609  1.0
  Zr  Zr4  1  0.388  0.777  0.750  1.0
  Zr  Zr5  1  0.612  0.223  0.250  1.0
  Bi  Bi6  1  0.675  0.350  0.750  1.0
  Bi  Bi7  1  0.325  0.650  0.250  1.0
  Bi  Bi8  1  0.641  0.282  0.450  1.0
  Bi  Bi9  1  0.359  0.718  0.550  1.0
  Bi  Bi10  1  0.359  0.718  0.950  1.0
  Bi  Bi11  1  0.641  0.282  0.050  1.0
[/CIF]
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The compound described by BiZr crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 7-coordinate geometry to two equivalent Bi(1) and five equivalent Bi(2) atoms. In the second Zr site, Zr(2) is bonded to two equivalent Bi(2) and three equivalent Bi(1) atoms to form distorted corner-sharing ZrBi5 trigonal bipyramids. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to three equivalent Zr(2) and four equivalent Zr(1) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one Zr(2) and five equivalent Zr(1) atoms. is represented by the CIF file [CIF]
data_ZrBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.893
_cell_length_b   5.759
_cell_length_c   14.458
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.757
_symmetry_Int_Tables_number   1
_cell_volume   305.053
_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
  Zr  Zr0  1  0.071  0.143  0.891  1.0
  Zr  Zr1  1  0.929  0.857  0.109  1.0
  Zr  Zr2  1  0.929  0.857  0.391  1.0
  Zr  Zr3  1  0.071  0.143  0.609  1.0
  Zr  Zr4  1  0.388  0.777  0.750  1.0
  Zr  Zr5  1  0.612  0.223  0.250  1.0
  Bi  Bi6  1  0.675  0.350  0.750  1.0
  Bi  Bi7  1  0.325  0.650  0.250  1.0
  Bi  Bi8  1  0.641  0.282  0.450  1.0
  Bi  Bi9  1  0.359  0.718  0.550  1.0
  Bi  Bi10  1  0.359  0.718  0.950  1.0
  Bi  Bi11  1  0.641  0.282  0.050  1.0
[/CIF]
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