The structure described by TbMoO4Br 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 Mo sites. In the first Mo site, Mo(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 Mo site, Mo(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 Mo(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Tb(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Tb(1), one Tb(2), and one Mo(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 Mo(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Tb(2) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Tb(1) and one Mo(2) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Tb(2) and one Mo(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Tb(1), one Tb(2), and one Mo(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 card [CIF]
data_TbMoBrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.945
_cell_length_b   7.316
_cell_length_c   11.101
_cell_angle_alpha   105.621
_cell_angle_beta   107.288
_cell_angle_gamma   92.737
_symmetry_Int_Tables_number   1
_cell_volume   513.614
_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  0.644  0.122  0.731  1.0
  Tb  Tb1  1  0.356  0.878  0.269  1.0
  Tb  Tb2  1  0.393  0.651  0.769  1.0
  Tb  Tb3  1  0.607  0.349  0.231  1.0
  Mo  Mo4  1  0.734  0.814  0.134  1.0
  Mo  Mo5  1  0.266  0.186  0.866  1.0
  Mo  Mo6  1  0.775  0.592  0.630  1.0
  Mo  Mo7  1  0.225  0.408  0.370  1.0
  Br  Br8  1  0.259  0.985  0.517  1.0
  Br  Br9  1  0.741  0.015  0.483  1.0
  Br  Br10  1  0.195  0.716  0.981  1.0
  Br  Br11  1  0.805  0.284  0.019  1.0
  O  O12  1  0.670  0.728  0.959  1.0
  O  O13  1  0.330  0.272  0.041  1.0
  O  O14  1  0.003  0.866  0.207  1.0
  O  O15  1  0.997  0.134  0.793  1.0
  O  O16  1  0.625  0.651  0.202  1.0
  O  O17  1  0.375  0.349  0.798  1.0
  O  O18  1  0.393  0.979  0.818  1.0
  O  O19  1  0.607  0.021  0.182  1.0
  O  O20  1  0.044  0.644  0.675  1.0
  O  O21  1  0.956  0.356  0.325  1.0
  O  O22  1  0.708  0.418  0.703  1.0
  O  O23  1  0.292  0.582  0.297  1.0
  O  O24  1  0.675  0.506  0.453  1.0
  O  O25  1  0.325  0.494  0.547  1.0
  O  O26  1  0.657  0.796  0.701  1.0
  O  O27  1  0.343  0.204  0.299  1.0
[/CIF]
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The structure described by TbMoO4Br 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 Mo sites. In the first Mo site, Mo(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 Mo site, Mo(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 Mo(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Tb(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Tb(1), one Tb(2), and one Mo(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 Mo(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Tb(2) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Tb(1) and one Mo(2) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Tb(2) and one Mo(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Tb(1), one Tb(2), and one Mo(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 card [CIF]
data_TbMoBrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.945
_cell_length_b   7.316
_cell_length_c   11.101
_cell_angle_alpha   105.621
_cell_angle_beta   107.288
_cell_angle_gamma   92.737
_symmetry_Int_Tables_number   1
_cell_volume   513.614
_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  0.644  0.122  0.731  1.0
  Tb  Tb1  1  0.356  0.878  0.269  1.0
  Tb  Tb2  1  0.393  0.651  0.769  1.0
  Tb  Tb3  1  0.607  0.349  0.231  1.0
  Mo  Mo4  1  0.734  0.814  0.134  1.0
  Mo  Mo5  1  0.266  0.186  0.866  1.0
  Mo  Mo6  1  0.775  0.592  0.630  1.0
  Mo  Mo7  1  0.225  0.408  0.370  1.0
  Br  Br8  1  0.259  0.985  0.517  1.0
  Br  Br9  1  0.741  0.015  0.483  1.0
  Br  Br10  1  0.195  0.716  0.981  1.0
  Br  Br11  1  0.805  0.284  0.019  1.0
  O  O12  1  0.670  0.728  0.959  1.0
  O  O13  1  0.330  0.272  0.041  1.0
  O  O14  1  0.003  0.866  0.207  1.0
  O  O15  1  0.997  0.134  0.793  1.0
  O  O16  1  0.625  0.651  0.202  1.0
  O  O17  1  0.375  0.349  0.798  1.0
  O  O18  1  0.393  0.979  0.818  1.0
  O  O19  1  0.607  0.021  0.182  1.0
  O  O20  1  0.044  0.644  0.675  1.0
  O  O21  1  0.956  0.356  0.325  1.0
  O  O22  1  0.708  0.418  0.703  1.0
  O  O23  1  0.292  0.582  0.297  1.0
  O  O24  1  0.675  0.506  0.453  1.0
  O  O25  1  0.325  0.494  0.547  1.0
  O  O26  1  0.657  0.796  0.701  1.0
  O  O27  1  0.343  0.204  0.299  1.0
[/CIF]
.