The structure described by HfBiO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Hf sites. In the first Hf site, Hf(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 HfO6 octahedra that share corners with four equivalent Hf(2)O6 octahedra and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. In the second Hf site, Hf(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 HfO6 octahedra that share corners with four equivalent Hf(1)O6 octahedra and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-57°. 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 Hf(2)O6 octahedra and edges with two equivalent Hf(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. 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 3-coordinate geometry to one Hf(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 Hf(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 Hf(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 Hf(1), one Hf(2), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Hf(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 Hf(1), one Hf(2), and one Bi(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Hf(1), one Hf(2), and one Bi(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Hf(1), one Hf(2), and one Bi(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.478
_cell_length_b   7.794
_cell_length_c   7.805
_cell_angle_alpha   98.447
_cell_angle_beta   91.457
_cell_angle_gamma   92.631
_symmetry_Int_Tables_number   1
_cell_volume   329.089
_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
  Hf  Hf0  1  0.779  0.324  0.642  1.0
  Hf  Hf1  1  0.742  0.821  0.671  1.0
  Hf  Hf2  1  0.258  0.179  0.329  1.0
  Hf  Hf3  1  0.221  0.676  0.358  1.0
  Bi  Bi4  1  0.278  0.148  0.820  1.0
  Bi  Bi5  1  0.244  0.637  0.861  1.0
  Bi  Bi6  1  0.756  0.363  0.139  1.0
  Bi  Bi7  1  0.722  0.852  0.180  1.0
  O  O8  1  0.990  0.317  0.886  1.0
  O  O9  1  0.501  0.385  0.815  1.0
  O  O10  1  0.590  0.827  0.919  1.0
  O  O11  1  0.606  0.070  0.681  1.0
  O  O12  1  0.077  0.908  0.807  1.0
  O  O13  1  0.891  0.578  0.677  1.0
  O  O14  1  0.096  0.187  0.569  1.0
  O  O15  1  0.585  0.304  0.415  1.0
  O  O16  1  0.415  0.696  0.585  1.0
  O  O17  1  0.904  0.813  0.431  1.0
  O  O18  1  0.109  0.422  0.323  1.0
  O  O19  1  0.923  0.092  0.193  1.0
  O  O20  1  0.394  0.930  0.319  1.0
  O  O21  1  0.410  0.173  0.081  1.0
  O  O22  1  0.499  0.615  0.185  1.0
  O  O23  1  0.010  0.683  0.114  1.0
[/CIF]
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The structure described by HfBiO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Hf sites. In the first Hf site, Hf(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 HfO6 octahedra that share corners with four equivalent Hf(2)O6 octahedra and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. In the second Hf site, Hf(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 HfO6 octahedra that share corners with four equivalent Hf(1)O6 octahedra and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-57°. 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 Hf(2)O6 octahedra and edges with two equivalent Hf(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. 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 3-coordinate geometry to one Hf(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 Hf(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 Hf(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 Hf(1), one Hf(2), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Hf(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 Hf(1), one Hf(2), and one Bi(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Hf(1), one Hf(2), and one Bi(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Hf(1), one Hf(2), and one Bi(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfBiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.478
_cell_length_b   7.794
_cell_length_c   7.805
_cell_angle_alpha   98.447
_cell_angle_beta   91.457
_cell_angle_gamma   92.631
_symmetry_Int_Tables_number   1
_cell_volume   329.089
_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
  Hf  Hf0  1  0.779  0.324  0.642  1.0
  Hf  Hf1  1  0.742  0.821  0.671  1.0
  Hf  Hf2  1  0.258  0.179  0.329  1.0
  Hf  Hf3  1  0.221  0.676  0.358  1.0
  Bi  Bi4  1  0.278  0.148  0.820  1.0
  Bi  Bi5  1  0.244  0.637  0.861  1.0
  Bi  Bi6  1  0.756  0.363  0.139  1.0
  Bi  Bi7  1  0.722  0.852  0.180  1.0
  O  O8  1  0.990  0.317  0.886  1.0
  O  O9  1  0.501  0.385  0.815  1.0
  O  O10  1  0.590  0.827  0.919  1.0
  O  O11  1  0.606  0.070  0.681  1.0
  O  O12  1  0.077  0.908  0.807  1.0
  O  O13  1  0.891  0.578  0.677  1.0
  O  O14  1  0.096  0.187  0.569  1.0
  O  O15  1  0.585  0.304  0.415  1.0
  O  O16  1  0.415  0.696  0.585  1.0
  O  O17  1  0.904  0.813  0.431  1.0
  O  O18  1  0.109  0.422  0.323  1.0
  O  O19  1  0.923  0.092  0.193  1.0
  O  O20  1  0.394  0.930  0.319  1.0
  O  O21  1  0.410  0.173  0.081  1.0
  O  O22  1  0.499  0.615  0.185  1.0
  O  O23  1  0.010  0.683  0.114  1.0
[/CIF]
.