The structure described by YbWO4Br crystallizes in the triclinic P-1 space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(4), one O(6), one O(8), and two equivalent Br(1) atoms. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) 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 to one O(5), one O(6), one O(8), and two equivalent O(7) atoms to form distorted edge-sharing WO5 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Yb(2), one W(1), and one Br(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Yb(1) and one W(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Yb(2) and one W(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Yb(1), one Yb(2), and one W(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Yb(2) and one W(2) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Yb(1) and one W(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Yb(2) and two equivalent W(2) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Yb(1), one Yb(2), and one W(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a bent 120 degrees geometry to two equivalent Yb(1) atoms. In the second Br site, Br(2) is bonded in a 1-coordinate geometry to one O(1) atom. is represented by the CIF card [CIF]
data_YbWBrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.629
_cell_length_b   7.306
_cell_length_c   11.823
_cell_angle_alpha   75.116
_cell_angle_beta   76.188
_cell_angle_gamma   86.097
_symmetry_Int_Tables_number   1
_cell_volume   537.384
_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
  Yb  Yb0  1  0.075  0.104  0.269  1.0
  Yb  Yb1  1  0.925  0.896  0.731  1.0
  Yb  Yb2  1  0.365  0.650  0.248  1.0
  Yb  Yb3  1  0.635  0.350  0.752  1.0
  W  W4  1  0.424  0.815  0.869  1.0
  W  W5  1  0.576  0.185  0.131  1.0
  W  W6  1  0.869  0.575  0.381  1.0
  W  W7  1  0.131  0.425  0.619  1.0
  Br  Br8  1  0.261  0.000  0.497  1.0
  Br  Br9  1  0.739  1.000  0.503  1.0
  Br  Br10  1  0.767  0.710  0.018  1.0
  Br  Br11  1  0.233  0.290  0.982  1.0
  O  O12  1  0.389  0.737  0.036  1.0
  O  O13  1  0.611  0.263  0.964  1.0
  O  O14  1  0.175  0.866  0.834  1.0
  O  O15  1  0.825  0.134  0.166  1.0
  O  O16  1  0.562  0.642  0.794  1.0
  O  O17  1  0.438  0.358  0.206  1.0
  O  O18  1  0.408  0.980  0.197  1.0
  O  O19  1  0.592  0.020  0.803  1.0
  O  O20  1  0.623  0.637  0.343  1.0
  O  O21  1  0.377  0.363  0.657  1.0
  O  O22  1  0.974  0.392  0.306  1.0
  O  O23  1  0.026  0.608  0.694  1.0
  O  O24  1  0.807  0.500  0.548  1.0
  O  O25  1  0.193  0.500  0.452  1.0
  O  O26  1  0.034  0.783  0.302  1.0
  O  O27  1  0.966  0.217  0.698  1.0
[/CIF]
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The structure described by YbWO4Br crystallizes in the triclinic P-1 space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(4), one O(6), one O(8), and two equivalent Br(1) atoms. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) 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 to one O(5), one O(6), one O(8), and two equivalent O(7) atoms to form distorted edge-sharing WO5 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Yb(2), one W(1), and one Br(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Yb(1) and one W(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Yb(2) and one W(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Yb(1), one Yb(2), and one W(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Yb(2) and one W(2) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Yb(1) and one W(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Yb(2) and two equivalent W(2) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Yb(1), one Yb(2), and one W(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a bent 120 degrees geometry to two equivalent Yb(1) atoms. In the second Br site, Br(2) is bonded in a 1-coordinate geometry to one O(1) atom. is represented by the CIF card [CIF]
data_YbWBrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.629
_cell_length_b   7.306
_cell_length_c   11.823
_cell_angle_alpha   75.116
_cell_angle_beta   76.188
_cell_angle_gamma   86.097
_symmetry_Int_Tables_number   1
_cell_volume   537.384
_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
  Yb  Yb0  1  0.075  0.104  0.269  1.0
  Yb  Yb1  1  0.925  0.896  0.731  1.0
  Yb  Yb2  1  0.365  0.650  0.248  1.0
  Yb  Yb3  1  0.635  0.350  0.752  1.0
  W  W4  1  0.424  0.815  0.869  1.0
  W  W5  1  0.576  0.185  0.131  1.0
  W  W6  1  0.869  0.575  0.381  1.0
  W  W7  1  0.131  0.425  0.619  1.0
  Br  Br8  1  0.261  0.000  0.497  1.0
  Br  Br9  1  0.739  1.000  0.503  1.0
  Br  Br10  1  0.767  0.710  0.018  1.0
  Br  Br11  1  0.233  0.290  0.982  1.0
  O  O12  1  0.389  0.737  0.036  1.0
  O  O13  1  0.611  0.263  0.964  1.0
  O  O14  1  0.175  0.866  0.834  1.0
  O  O15  1  0.825  0.134  0.166  1.0
  O  O16  1  0.562  0.642  0.794  1.0
  O  O17  1  0.438  0.358  0.206  1.0
  O  O18  1  0.408  0.980  0.197  1.0
  O  O19  1  0.592  0.020  0.803  1.0
  O  O20  1  0.623  0.637  0.343  1.0
  O  O21  1  0.377  0.363  0.657  1.0
  O  O22  1  0.974  0.392  0.306  1.0
  O  O23  1  0.026  0.608  0.694  1.0
  O  O24  1  0.807  0.500  0.548  1.0
  O  O25  1  0.193  0.500  0.452  1.0
  O  O26  1  0.034  0.783  0.302  1.0
  O  O27  1  0.966  0.217  0.698  1.0
[/CIF]
.