The material described by YWO4Br crystallizes in the triclinic P-1 space group. There are two inequivalent Y sites. In the first Y site, Y(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 Y site, Y(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 Y(2) and one W(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Y(1) and one W(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Y(1), one Y(2), and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Y(1), one Y(2), and one W(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Y(2) and one W(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Y(1) and one W(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Y(2) and one W(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Y(1), one Y(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 Y(1) atoms. In the second Br site, Br(2) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one Y(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YWBrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.036
_cell_length_b   7.349
_cell_length_c   11.078
_cell_angle_alpha   103.771
_cell_angle_beta   107.989
_cell_angle_gamma   94.289
_symmetry_Int_Tables_number   1
_cell_volume   522.260
_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
  Y  Y0  1  0.660  0.110  0.731  1.0
  Y  Y1  1  0.340  0.890  0.269  1.0
  Y  Y2  1  0.380  0.660  0.768  1.0
  Y  Y3  1  0.620  0.340  0.232  1.0
  W  W4  1  0.728  0.815  0.133  1.0
  W  W5  1  0.272  0.185  0.867  1.0
  W  W6  1  0.769  0.589  0.626  1.0
  W  W7  1  0.231  0.411  0.374  1.0
  Br  Br8  1  0.264  0.005  0.520  1.0
  Br  Br9  1  0.736  0.995  0.480  1.0
  Br  Br10  1  0.190  0.721  0.982  1.0
  Br  Br11  1  0.810  0.279  0.018  1.0
  O  O12  1  0.656  0.730  0.957  1.0
  O  O13  1  0.344  0.270  0.043  1.0
  O  O14  1  0.999  0.878  0.205  1.0
  O  O15  1  0.001  0.122  0.795  1.0
  O  O16  1  0.637  0.635  0.199  1.0
  O  O17  1  0.363  0.365  0.801  1.0
  O  O18  1  0.402  0.986  0.816  1.0
  O  O19  1  0.598  0.014  0.184  1.0
  O  O20  1  0.038  0.650  0.670  1.0
  O  O21  1  0.962  0.350  0.330  1.0
  O  O22  1  0.722  0.401  0.698  1.0
  O  O23  1  0.278  0.599  0.302  1.0
  O  O24  1  0.665  0.502  0.447  1.0
  O  O25  1  0.335  0.498  0.553  1.0
  O  O26  1  0.655  0.786  0.703  1.0
  O  O27  1  0.345  0.214  0.297  1.0
[/CIF]
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The material described by YWO4Br crystallizes in the triclinic P-1 space group. There are two inequivalent Y sites. In the first Y site, Y(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 Y site, Y(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 Y(2) and one W(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Y(1) and one W(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Y(1), one Y(2), and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Y(1), one Y(2), and one W(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Y(2) and one W(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Y(1) and one W(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Y(2) and one W(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Y(1), one Y(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 Y(1) atoms. In the second Br site, Br(2) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one Y(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YWBrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.036
_cell_length_b   7.349
_cell_length_c   11.078
_cell_angle_alpha   103.771
_cell_angle_beta   107.989
_cell_angle_gamma   94.289
_symmetry_Int_Tables_number   1
_cell_volume   522.260
_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
  Y  Y0  1  0.660  0.110  0.731  1.0
  Y  Y1  1  0.340  0.890  0.269  1.0
  Y  Y2  1  0.380  0.660  0.768  1.0
  Y  Y3  1  0.620  0.340  0.232  1.0
  W  W4  1  0.728  0.815  0.133  1.0
  W  W5  1  0.272  0.185  0.867  1.0
  W  W6  1  0.769  0.589  0.626  1.0
  W  W7  1  0.231  0.411  0.374  1.0
  Br  Br8  1  0.264  0.005  0.520  1.0
  Br  Br9  1  0.736  0.995  0.480  1.0
  Br  Br10  1  0.190  0.721  0.982  1.0
  Br  Br11  1  0.810  0.279  0.018  1.0
  O  O12  1  0.656  0.730  0.957  1.0
  O  O13  1  0.344  0.270  0.043  1.0
  O  O14  1  0.999  0.878  0.205  1.0
  O  O15  1  0.001  0.122  0.795  1.0
  O  O16  1  0.637  0.635  0.199  1.0
  O  O17  1  0.363  0.365  0.801  1.0
  O  O18  1  0.402  0.986  0.816  1.0
  O  O19  1  0.598  0.014  0.184  1.0
  O  O20  1  0.038  0.650  0.670  1.0
  O  O21  1  0.962  0.350  0.330  1.0
  O  O22  1  0.722  0.401  0.698  1.0
  O  O23  1  0.278  0.599  0.302  1.0
  O  O24  1  0.665  0.502  0.447  1.0
  O  O25  1  0.335  0.498  0.553  1.0
  O  O26  1  0.655  0.786  0.703  1.0
  O  O27  1  0.345  0.214  0.297  1.0
[/CIF]
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