The crystal structure described by TmMoO4Cl crystallizes in the monoclinic C2/m space group. Tm(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), four equivalent O(2), and two equivalent Cl(1) atoms. Mo(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Tm(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Tm(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Tm(1) and one Mo(1) atom. Cl(1) is bonded in a water-like geometry to two equivalent Tm(1) atoms. is represented by the CIF file [CIF]
data_TmMoClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.261
_cell_length_b   6.261
_cell_length_c   6.876
_cell_angle_alpha   75.764
_cell_angle_beta   75.764
_cell_angle_gamma   70.656
_symmetry_Int_Tables_number   1
_cell_volume   242.527
_cell_formula_units_Z   2
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  0.778  0.778  0.113  1.0
  Tm  Tm1  1  0.222  0.222  0.887  1.0
  Mo  Mo2  1  0.362  0.362  0.269  1.0
  Mo  Mo3  1  0.638  0.638  0.731  1.0
  Cl  Cl4  1  0.990  0.990  0.768  1.0
  Cl  Cl5  1  0.010  0.010  0.232  1.0
  O  O6  1  0.706  0.706  0.462  1.0
  O  O7  1  0.294  0.294  0.538  1.0
  O  O8  1  0.508  0.894  0.846  1.0
  O  O9  1  0.455  0.455  0.800  1.0
  O  O10  1  0.106  0.492  0.154  1.0
  O  O11  1  0.894  0.508  0.846  1.0
  O  O12  1  0.545  0.545  0.200  1.0
  O  O13  1  0.492  0.106  0.154  1.0
[/CIF]
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The crystal structure described by TmMoO4Cl crystallizes in the monoclinic C2/m space group. Tm(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), four equivalent O(2), and two equivalent Cl(1) atoms. Mo(1) is bonded in a tetrahedral geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Tm(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Tm(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Tm(1) and one Mo(1) atom. Cl(1) is bonded in a water-like geometry to two equivalent Tm(1) atoms. is represented by the CIF file [CIF]
data_TmMoClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.261
_cell_length_b   6.261
_cell_length_c   6.876
_cell_angle_alpha   75.764
_cell_angle_beta   75.764
_cell_angle_gamma   70.656
_symmetry_Int_Tables_number   1
_cell_volume   242.527
_cell_formula_units_Z   2
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  0.778  0.778  0.113  1.0
  Tm  Tm1  1  0.222  0.222  0.887  1.0
  Mo  Mo2  1  0.362  0.362  0.269  1.0
  Mo  Mo3  1  0.638  0.638  0.731  1.0
  Cl  Cl4  1  0.990  0.990  0.768  1.0
  Cl  Cl5  1  0.010  0.010  0.232  1.0
  O  O6  1  0.706  0.706  0.462  1.0
  O  O7  1  0.294  0.294  0.538  1.0
  O  O8  1  0.508  0.894  0.846  1.0
  O  O9  1  0.455  0.455  0.800  1.0
  O  O10  1  0.106  0.492  0.154  1.0
  O  O11  1  0.894  0.508  0.846  1.0
  O  O12  1  0.545  0.545  0.200  1.0
  O  O13  1  0.492  0.106  0.154  1.0
[/CIF]
.