The structure described by TmWO4Br crystallizes in the triclinic P-1 space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(6), one O(8), one Br(2), and two equivalent Br(1) atoms. In the second Tm site, Tm(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 Tm(2) and one W(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Tm(1) and one W(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Tm(2) and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Tm(1), one Tm(2), and one W(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Tm(2) and one W(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Tm(1) and one W(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Tm(2) and one W(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Tm(1), one Tm(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 Tm(1) atoms. In the second Br site, Br(2) is bonded in a distorted bent 150 degrees geometry to one Tm(1) and one Tm(2) atom. is represented by the CIF card [CIF]
data_TmWBrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.984
_cell_length_b   7.263
_cell_length_c   10.937
_cell_angle_alpha   102.915
_cell_angle_beta   108.219
_cell_angle_gamma   95.115
_symmetry_Int_Tables_number   1
_cell_volume   505.918
_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
  Tm  Tm0  1  0.666  0.102  0.730  1.0
  Tm  Tm1  1  0.334  0.898  0.270  1.0
  Tm  Tm2  1  0.378  0.663  0.767  1.0
  Tm  Tm3  1  0.622  0.337  0.233  1.0
  W  W4  1  0.726  0.817  0.134  1.0
  W  W5  1  0.274  0.183  0.866  1.0
  W  W6  1  0.767  0.586  0.625  1.0
  W  W7  1  0.233  0.414  0.375  1.0
  Br  Br8  1  0.266  0.010  0.520  1.0
  Br  Br9  1  0.734  0.990  0.480  1.0
  Br  Br10  1  0.191  0.723  0.983  1.0
  Br  Br11  1  0.809  0.277  0.017  1.0
  O  O12  1  0.650  0.732  0.955  1.0
  O  O13  1  0.350  0.268  0.045  1.0
  O  O14  1  0.000  0.886  0.203  1.0
  O  O15  1  1.000  0.114  0.797  1.0
  O  O16  1  0.647  0.629  0.201  1.0
  O  O17  1  0.353  0.371  0.799  1.0
  O  O18  1  0.405  0.986  0.811  1.0
  O  O19  1  0.595  0.014  0.189  1.0
  O  O20  1  0.039  0.652  0.668  1.0
  O  O21  1  0.961  0.348  0.332  1.0
  O  O22  1  0.726  0.393  0.699  1.0
  O  O23  1  0.274  0.607  0.301  1.0
  O  O24  1  0.661  0.497  0.444  1.0
  O  O25  1  0.339  0.503  0.556  1.0
  O  O26  1  0.658  0.785  0.706  1.0
  O  O27  1  0.342  0.215  0.294  1.0
[/CIF]
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The structure described by TmWO4Br crystallizes in the triclinic P-1 space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(6), one O(8), one Br(2), and two equivalent Br(1) atoms. In the second Tm site, Tm(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 Tm(2) and one W(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Tm(1) and one W(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Tm(2) and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Tm(1), one Tm(2), and one W(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Tm(2) and one W(2) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Tm(1) and one W(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Tm(2) and one W(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Tm(1), one Tm(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 Tm(1) atoms. In the second Br site, Br(2) is bonded in a distorted bent 150 degrees geometry to one Tm(1) and one Tm(2) atom. is represented by the CIF card [CIF]
data_TmWBrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.984
_cell_length_b   7.263
_cell_length_c   10.937
_cell_angle_alpha   102.915
_cell_angle_beta   108.219
_cell_angle_gamma   95.115
_symmetry_Int_Tables_number   1
_cell_volume   505.918
_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
  Tm  Tm0  1  0.666  0.102  0.730  1.0
  Tm  Tm1  1  0.334  0.898  0.270  1.0
  Tm  Tm2  1  0.378  0.663  0.767  1.0
  Tm  Tm3  1  0.622  0.337  0.233  1.0
  W  W4  1  0.726  0.817  0.134  1.0
  W  W5  1  0.274  0.183  0.866  1.0
  W  W6  1  0.767  0.586  0.625  1.0
  W  W7  1  0.233  0.414  0.375  1.0
  Br  Br8  1  0.266  0.010  0.520  1.0
  Br  Br9  1  0.734  0.990  0.480  1.0
  Br  Br10  1  0.191  0.723  0.983  1.0
  Br  Br11  1  0.809  0.277  0.017  1.0
  O  O12  1  0.650  0.732  0.955  1.0
  O  O13  1  0.350  0.268  0.045  1.0
  O  O14  1  0.000  0.886  0.203  1.0
  O  O15  1  1.000  0.114  0.797  1.0
  O  O16  1  0.647  0.629  0.201  1.0
  O  O17  1  0.353  0.371  0.799  1.0
  O  O18  1  0.405  0.986  0.811  1.0
  O  O19  1  0.595  0.014  0.189  1.0
  O  O20  1  0.039  0.652  0.668  1.0
  O  O21  1  0.961  0.348  0.332  1.0
  O  O22  1  0.726  0.393  0.699  1.0
  O  O23  1  0.274  0.607  0.301  1.0
  O  O24  1  0.661  0.497  0.444  1.0
  O  O25  1  0.339  0.503  0.556  1.0
  O  O26  1  0.658  0.785  0.706  1.0
  O  O27  1  0.342  0.215  0.294  1.0
[/CIF]
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