The material structure described by TbWO4Br crystallizes in the triclinic P-1 space group. There are two inequivalent Tb sites. In the first Tb site, Tb(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 Tb site, Tb(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 Tb(2) and one W(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Tb(1) and one W(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Tb(1), one Tb(2), and one W(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Tb(1), one Tb(2), and one W(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Tb(2) and one W(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Tb(1) and one W(2) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Tb(2) and one W(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Tb(1), one Tb(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 Tb(1) atoms. In the second Br site, Br(2) is bonded in a distorted bent 120 degrees geometry to one Tb(1) and one Tb(2) atom. is represented by the CIF file [CIF]
data_TbWBrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.007
_cell_length_b   7.349
_cell_length_c   11.129
_cell_angle_alpha   104.716
_cell_angle_beta   107.859
_cell_angle_gamma   93.429
_symmetry_Int_Tables_number   1
_cell_volume   521.708
_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
  Tb  Tb0  1  0.654  0.118  0.731  1.0
  Tb  Tb1  1  0.346  0.882  0.269  1.0
  Tb  Tb2  1  0.384  0.656  0.768  1.0
  Tb  Tb3  1  0.616  0.344  0.232  1.0
  W  W4  1  0.730  0.813  0.133  1.0
  W  W5  1  0.270  0.187  0.867  1.0
  W  W6  1  0.770  0.591  0.627  1.0
  W  W7  1  0.230  0.409  0.373  1.0
  Br  Br8  1  0.263  0.997  0.519  1.0
  Br  Br9  1  0.737  0.003  0.481  1.0
  Br  Br10  1  0.193  0.718  0.981  1.0
  Br  Br11  1  0.807  0.282  0.019  1.0
  O  O12  1  0.660  0.729  0.957  1.0
  O  O13  1  0.340  0.271  0.043  1.0
  O  O14  1  0.002  0.871  0.207  1.0
  O  O15  1  0.998  0.129  0.793  1.0
  O  O16  1  0.629  0.643  0.201  1.0
  O  O17  1  0.371  0.357  0.799  1.0
  O  O18  1  0.397  0.982  0.818  1.0
  O  O19  1  0.603  0.018  0.182  1.0
  O  O20  1  0.040  0.649  0.672  1.0
  O  O21  1  0.960  0.351  0.328  1.0
  O  O22  1  0.718  0.409  0.701  1.0
  O  O23  1  0.282  0.591  0.299  1.0
  O  O24  1  0.668  0.503  0.449  1.0
  O  O25  1  0.332  0.497  0.551  1.0
  O  O26  1  0.655  0.792  0.702  1.0
  O  O27  1  0.345  0.208  0.298  1.0
[/CIF]
.
The material structure described by TbWO4Br crystallizes in the triclinic P-1 space group. There are two inequivalent Tb sites. In the first Tb site, Tb(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 Tb site, Tb(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 Tb(2) and one W(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Tb(1) and one W(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Tb(1), one Tb(2), and one W(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Tb(1), one Tb(2), and one W(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Tb(2) and one W(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Tb(1) and one W(2) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Tb(2) and one W(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Tb(1), one Tb(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 Tb(1) atoms. In the second Br site, Br(2) is bonded in a distorted bent 120 degrees geometry to one Tb(1) and one Tb(2) atom. is represented by the CIF file [CIF]
data_TbWBrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.007
_cell_length_b   7.349
_cell_length_c   11.129
_cell_angle_alpha   104.716
_cell_angle_beta   107.859
_cell_angle_gamma   93.429
_symmetry_Int_Tables_number   1
_cell_volume   521.708
_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
  Tb  Tb0  1  0.654  0.118  0.731  1.0
  Tb  Tb1  1  0.346  0.882  0.269  1.0
  Tb  Tb2  1  0.384  0.656  0.768  1.0
  Tb  Tb3  1  0.616  0.344  0.232  1.0
  W  W4  1  0.730  0.813  0.133  1.0
  W  W5  1  0.270  0.187  0.867  1.0
  W  W6  1  0.770  0.591  0.627  1.0
  W  W7  1  0.230  0.409  0.373  1.0
  Br  Br8  1  0.263  0.997  0.519  1.0
  Br  Br9  1  0.737  0.003  0.481  1.0
  Br  Br10  1  0.193  0.718  0.981  1.0
  Br  Br11  1  0.807  0.282  0.019  1.0
  O  O12  1  0.660  0.729  0.957  1.0
  O  O13  1  0.340  0.271  0.043  1.0
  O  O14  1  0.002  0.871  0.207  1.0
  O  O15  1  0.998  0.129  0.793  1.0
  O  O16  1  0.629  0.643  0.201  1.0
  O  O17  1  0.371  0.357  0.799  1.0
  O  O18  1  0.397  0.982  0.818  1.0
  O  O19  1  0.603  0.018  0.182  1.0
  O  O20  1  0.040  0.649  0.672  1.0
  O  O21  1  0.960  0.351  0.328  1.0
  O  O22  1  0.718  0.409  0.701  1.0
  O  O23  1  0.282  0.591  0.299  1.0
  O  O24  1  0.668  0.503  0.449  1.0
  O  O25  1  0.332  0.497  0.551  1.0
  O  O26  1  0.655  0.792  0.702  1.0
  O  O27  1  0.345  0.208  0.298  1.0
[/CIF]
.