The material structure described by HoWO4Br crystallizes in the triclinic P-1 space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one O(8), one Br(2), and two equivalent Br(1) atoms. In the second Ho site, Ho(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), one O(8), and one Br(2) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second W site, W(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ho(2) and one W(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Ho(1) and one W(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ho(1), one Ho(2), and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ho(1), one Ho(2), and one W(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ho(2) and one W(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Ho(1) and one W(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ho(2) and one W(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ho(1), one Ho(2), and one W(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a water-like geometry to two equivalent Ho(1) atoms. In the second Br site, Br(2) is bonded in a distorted bent 150 degrees geometry to one Ho(1) and one Ho(2) atom. is represented by the CIF card [CIF]
data_HoWBrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.987
_cell_length_b   7.299
_cell_length_c   11.020
_cell_angle_alpha   103.820
_cell_angle_beta   108.002
_cell_angle_gamma   94.289
_symmetry_Int_Tables_number   1
_cell_volume   512.265
_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
  Ho  Ho0  1  0.658  0.112  0.731  1.0
  Ho  Ho1  1  0.342  0.888  0.269  1.0
  Ho  Ho2  1  0.381  0.660  0.767  1.0
  Ho  Ho3  1  0.619  0.340  0.233  1.0
  W  W4  1  0.729  0.814  0.133  1.0
  W  W5  1  0.271  0.186  0.867  1.0
  W  W6  1  0.769  0.590  0.626  1.0
  W  W7  1  0.231  0.410  0.374  1.0
  Br  Br8  1  0.263  0.004  0.519  1.0
  Br  Br9  1  0.737  0.996  0.481  1.0
  Br  Br10  1  0.191  0.720  0.982  1.0
  Br  Br11  1  0.809  0.280  0.018  1.0
  O  O12  1  0.658  0.730  0.955  1.0
  O  O13  1  0.342  0.270  0.045  1.0
  O  O14  1  0.003  0.877  0.205  1.0
  O  O15  1  0.997  0.123  0.795  1.0
  O  O16  1  0.636  0.636  0.201  1.0
  O  O17  1  0.364  0.364  0.799  1.0
  O  O18  1  0.401  0.984  0.817  1.0
  O  O19  1  0.599  0.016  0.183  1.0
  O  O20  1  0.040  0.653  0.669  1.0
  O  O21  1  0.960  0.347  0.331  1.0
  O  O22  1  0.724  0.403  0.700  1.0
  O  O23  1  0.276  0.597  0.300  1.0
  O  O24  1  0.664  0.502  0.446  1.0
  O  O25  1  0.336  0.498  0.554  1.0
  O  O26  1  0.655  0.790  0.703  1.0
  O  O27  1  0.345  0.210  0.297  1.0
[/CIF]
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The material structure described by HoWO4Br crystallizes in the triclinic P-1 space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(6), one O(8), one Br(2), and two equivalent Br(1) atoms. In the second Ho site, Ho(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), one O(8), and one Br(2) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second W site, W(2) is bonded in a tetrahedral geometry to one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ho(2) and one W(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Ho(1) and one W(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ho(1), one Ho(2), and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ho(1), one Ho(2), and one W(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ho(2) and one W(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Ho(1) and one W(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ho(2) and one W(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ho(1), one Ho(2), and one W(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a water-like geometry to two equivalent Ho(1) atoms. In the second Br site, Br(2) is bonded in a distorted bent 150 degrees geometry to one Ho(1) and one Ho(2) atom. is represented by the CIF card [CIF]
data_HoWBrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.987
_cell_length_b   7.299
_cell_length_c   11.020
_cell_angle_alpha   103.820
_cell_angle_beta   108.002
_cell_angle_gamma   94.289
_symmetry_Int_Tables_number   1
_cell_volume   512.265
_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
  Ho  Ho0  1  0.658  0.112  0.731  1.0
  Ho  Ho1  1  0.342  0.888  0.269  1.0
  Ho  Ho2  1  0.381  0.660  0.767  1.0
  Ho  Ho3  1  0.619  0.340  0.233  1.0
  W  W4  1  0.729  0.814  0.133  1.0
  W  W5  1  0.271  0.186  0.867  1.0
  W  W6  1  0.769  0.590  0.626  1.0
  W  W7  1  0.231  0.410  0.374  1.0
  Br  Br8  1  0.263  0.004  0.519  1.0
  Br  Br9  1  0.737  0.996  0.481  1.0
  Br  Br10  1  0.191  0.720  0.982  1.0
  Br  Br11  1  0.809  0.280  0.018  1.0
  O  O12  1  0.658  0.730  0.955  1.0
  O  O13  1  0.342  0.270  0.045  1.0
  O  O14  1  0.003  0.877  0.205  1.0
  O  O15  1  0.997  0.123  0.795  1.0
  O  O16  1  0.636  0.636  0.201  1.0
  O  O17  1  0.364  0.364  0.799  1.0
  O  O18  1  0.401  0.984  0.817  1.0
  O  O19  1  0.599  0.016  0.183  1.0
  O  O20  1  0.040  0.653  0.669  1.0
  O  O21  1  0.960  0.347  0.331  1.0
  O  O22  1  0.724  0.403  0.700  1.0
  O  O23  1  0.276  0.597  0.300  1.0
  O  O24  1  0.664  0.502  0.446  1.0
  O  O25  1  0.336  0.498  0.554  1.0
  O  O26  1  0.655  0.790  0.703  1.0
  O  O27  1  0.345  0.210  0.297  1.0
[/CIF]
.