The structure described by ZrBiO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form distorted ZrO6 octahedra that share corners with four equivalent Zr(2)O6 octahedra and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. In the second Zr site, Zr(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form ZrO6 octahedra that share corners with four equivalent Zr(1)O6 octahedra and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form BiO6 octahedra that share corners with four equivalent Zr(2)O6 octahedra and edges with two equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Zr(1), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Zr(1), one Bi(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Zr(2), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Zr(1), one Zr(2), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Zr(2), one Bi(1), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Zr(1), one Zr(2), and one Bi(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Zr(1), one Zr(2), and one Bi(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Zr(1), one Zr(2), and one Bi(2) atom. is represented by the CIF file [CIF]
data_ZrBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.500
_cell_length_b   7.844
_cell_length_c   7.859
_cell_angle_alpha   97.839
_cell_angle_beta   91.379
_cell_angle_gamma   92.805
_symmetry_Int_Tables_number   1
_cell_volume   335.290
_cell_formula_units_Z   4
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  0.779  0.329  0.640  1.0
  Zr  Zr1  1  0.743  0.827  0.670  1.0
  Zr  Zr2  1  0.257  0.173  0.330  1.0
  Zr  Zr3  1  0.221  0.671  0.360  1.0
  Bi  Bi4  1  0.277  0.151  0.822  1.0
  Bi  Bi5  1  0.245  0.639  0.863  1.0
  Bi  Bi6  1  0.755  0.361  0.137  1.0
  Bi  Bi7  1  0.723  0.849  0.178  1.0
  O  O8  1  0.991  0.318  0.887  1.0
  O  O9  1  0.500  0.387  0.815  1.0
  O  O10  1  0.589  0.828  0.920  1.0
  O  O11  1  0.597  0.073  0.681  1.0
  O  O12  1  0.082  0.909  0.809  1.0
  O  O13  1  0.898  0.582  0.678  1.0
  O  O14  1  0.095  0.185  0.572  1.0
  O  O15  1  0.585  0.308  0.410  1.0
  O  O16  1  0.415  0.692  0.590  1.0
  O  O17  1  0.905  0.815  0.428  1.0
  O  O18  1  0.102  0.418  0.322  1.0
  O  O19  1  0.918  0.091  0.191  1.0
  O  O20  1  0.403  0.927  0.319  1.0
  O  O21  1  0.411  0.172  0.080  1.0
  O  O22  1  0.500  0.613  0.185  1.0
  O  O23  1  0.009  0.682  0.113  1.0
[/CIF]
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The structure described by ZrBiO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form distorted ZrO6 octahedra that share corners with four equivalent Zr(2)O6 octahedra and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. In the second Zr site, Zr(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form ZrO6 octahedra that share corners with four equivalent Zr(1)O6 octahedra and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form BiO6 octahedra that share corners with four equivalent Zr(2)O6 octahedra and edges with two equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Zr(1), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Zr(1), one Bi(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Zr(2), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Zr(1), one Zr(2), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Zr(2), one Bi(1), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Zr(1), one Zr(2), and one Bi(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Zr(1), one Zr(2), and one Bi(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Zr(1), one Zr(2), and one Bi(2) atom. is represented by the CIF file [CIF]
data_ZrBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.500
_cell_length_b   7.844
_cell_length_c   7.859
_cell_angle_alpha   97.839
_cell_angle_beta   91.379
_cell_angle_gamma   92.805
_symmetry_Int_Tables_number   1
_cell_volume   335.290
_cell_formula_units_Z   4
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  0.779  0.329  0.640  1.0
  Zr  Zr1  1  0.743  0.827  0.670  1.0
  Zr  Zr2  1  0.257  0.173  0.330  1.0
  Zr  Zr3  1  0.221  0.671  0.360  1.0
  Bi  Bi4  1  0.277  0.151  0.822  1.0
  Bi  Bi5  1  0.245  0.639  0.863  1.0
  Bi  Bi6  1  0.755  0.361  0.137  1.0
  Bi  Bi7  1  0.723  0.849  0.178  1.0
  O  O8  1  0.991  0.318  0.887  1.0
  O  O9  1  0.500  0.387  0.815  1.0
  O  O10  1  0.589  0.828  0.920  1.0
  O  O11  1  0.597  0.073  0.681  1.0
  O  O12  1  0.082  0.909  0.809  1.0
  O  O13  1  0.898  0.582  0.678  1.0
  O  O14  1  0.095  0.185  0.572  1.0
  O  O15  1  0.585  0.308  0.410  1.0
  O  O16  1  0.415  0.692  0.590  1.0
  O  O17  1  0.905  0.815  0.428  1.0
  O  O18  1  0.102  0.418  0.322  1.0
  O  O19  1  0.918  0.091  0.191  1.0
  O  O20  1  0.403  0.927  0.319  1.0
  O  O21  1  0.411  0.172  0.080  1.0
  O  O22  1  0.500  0.613  0.185  1.0
  O  O23  1  0.009  0.682  0.113  1.0
[/CIF]
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