The crystal structure described by GdMoO4Br crystallizes in the triclinic P-1 space group. There are two inequivalent Gd sites. In the first Gd site, Gd(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 Gd site, Gd(2) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), 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 Gd(2) and one Mo(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Gd(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(2), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(2), and one Mo(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Gd(2) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Gd(1), one Gd(2), and one Mo(2) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Gd(2) and one Mo(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(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 Gd(1) atoms. In the second Br site, Br(2) is bonded in a distorted bent 120 degrees geometry to one Gd(1) and one Gd(2) atom. is represented by the CIF card [CIF]
data_GdMoBrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.976
_cell_length_b   7.379
_cell_length_c   11.210
_cell_angle_alpha   106.301
_cell_angle_beta   107.118
_cell_angle_gamma   92.333
_symmetry_Int_Tables_number   1
_cell_volume   524.458
_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
  Gd  Gd0  1  0.642  0.124  0.730  1.0
  Gd  Gd1  1  0.358  0.876  0.270  1.0
  Gd  Gd2  1  0.395  0.647  0.769  1.0
  Gd  Gd3  1  0.605  0.353  0.231  1.0
  Mo  Mo4  1  0.736  0.816  0.134  1.0
  Mo  Mo5  1  0.264  0.184  0.866  1.0
  Mo  Mo6  1  0.775  0.591  0.631  1.0
  Mo  Mo7  1  0.225  0.409  0.369  1.0
  Br  Br8  1  0.258  0.982  0.516  1.0
  Br  Br9  1  0.742  0.018  0.484  1.0
  Br  Br10  1  0.197  0.717  0.981  1.0
  Br  Br11  1  0.803  0.283  0.019  1.0
  O  O12  1  0.674  0.728  0.961  1.0
  O  O13  1  0.326  0.272  0.039  1.0
  O  O14  1  0.003  0.865  0.207  1.0
  O  O15  1  0.997  0.135  0.793  1.0
  O  O16  1  0.626  0.655  0.200  1.0
  O  O17  1  0.374  0.345  0.800  1.0
  O  O18  1  0.389  0.977  0.818  1.0
  O  O19  1  0.611  0.023  0.182  1.0
  O  O20  1  0.042  0.637  0.677  1.0
  O  O21  1  0.958  0.363  0.323  1.0
  O  O22  1  0.699  0.423  0.703  1.0
  O  O23  1  0.301  0.577  0.297  1.0
  O  O24  1  0.678  0.506  0.456  1.0
  O  O25  1  0.322  0.494  0.544  1.0
  O  O26  1  0.660  0.797  0.701  1.0
  O  O27  1  0.340  0.203  0.299  1.0
[/CIF]
.
The crystal structure described by GdMoO4Br crystallizes in the triclinic P-1 space group. There are two inequivalent Gd sites. In the first Gd site, Gd(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 Gd site, Gd(2) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), 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 Gd(2) and one Mo(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Gd(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(2), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(2), and one Mo(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Gd(2) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Gd(1), one Gd(2), and one Mo(2) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Gd(2) and one Mo(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Gd(1), one Gd(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 Gd(1) atoms. In the second Br site, Br(2) is bonded in a distorted bent 120 degrees geometry to one Gd(1) and one Gd(2) atom. is represented by the CIF card [CIF]
data_GdMoBrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.976
_cell_length_b   7.379
_cell_length_c   11.210
_cell_angle_alpha   106.301
_cell_angle_beta   107.118
_cell_angle_gamma   92.333
_symmetry_Int_Tables_number   1
_cell_volume   524.458
_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
  Gd  Gd0  1  0.642  0.124  0.730  1.0
  Gd  Gd1  1  0.358  0.876  0.270  1.0
  Gd  Gd2  1  0.395  0.647  0.769  1.0
  Gd  Gd3  1  0.605  0.353  0.231  1.0
  Mo  Mo4  1  0.736  0.816  0.134  1.0
  Mo  Mo5  1  0.264  0.184  0.866  1.0
  Mo  Mo6  1  0.775  0.591  0.631  1.0
  Mo  Mo7  1  0.225  0.409  0.369  1.0
  Br  Br8  1  0.258  0.982  0.516  1.0
  Br  Br9  1  0.742  0.018  0.484  1.0
  Br  Br10  1  0.197  0.717  0.981  1.0
  Br  Br11  1  0.803  0.283  0.019  1.0
  O  O12  1  0.674  0.728  0.961  1.0
  O  O13  1  0.326  0.272  0.039  1.0
  O  O14  1  0.003  0.865  0.207  1.0
  O  O15  1  0.997  0.135  0.793  1.0
  O  O16  1  0.626  0.655  0.200  1.0
  O  O17  1  0.374  0.345  0.800  1.0
  O  O18  1  0.389  0.977  0.818  1.0
  O  O19  1  0.611  0.023  0.182  1.0
  O  O20  1  0.042  0.637  0.677  1.0
  O  O21  1  0.958  0.363  0.323  1.0
  O  O22  1  0.699  0.423  0.703  1.0
  O  O23  1  0.301  0.577  0.297  1.0
  O  O24  1  0.678  0.506  0.456  1.0
  O  O25  1  0.322  0.494  0.544  1.0
  O  O26  1  0.660  0.797  0.701  1.0
  O  O27  1  0.340  0.203  0.299  1.0
[/CIF]
.