The compound described by LuMoO4Cl crystallizes in the triclinic P-1 space group. Lu(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), two equivalent O(4), and two equivalent Cl(1) atoms. Mo(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Lu(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Lu(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Lu(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Lu(1) and one Mo(1) atom. Cl(1) is bonded in a water-like geometry to two equivalent Lu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LuMoClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.940
_cell_length_b   6.501
_cell_length_c   6.940
_cell_angle_alpha   73.475
_cell_angle_beta   77.852
_cell_angle_gamma   71.098
_symmetry_Int_Tables_number   1
_cell_volume   240.984
_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
  Lu  Lu0  1  0.758  0.802  0.131  1.0
  Lu  Lu1  1  0.242  0.198  0.869  1.0
  Mo  Mo2  1  0.624  0.644  0.733  1.0
  Mo  Mo3  1  0.376  0.356  0.267  1.0
  Cl  Cl4  1  0.010  0.025  0.226  1.0
  Cl  Cl5  1  0.990  0.975  0.774  1.0
  O  O6  1  0.091  0.523  0.190  1.0
  O  O7  1  0.909  0.477  0.810  1.0
  O  O8  1  0.344  0.250  0.534  1.0
  O  O9  1  0.577  0.526  0.202  1.0
  O  O10  1  0.656  0.750  0.466  1.0
  O  O11  1  0.478  0.130  0.129  1.0
  O  O12  1  0.522  0.870  0.871  1.0
  O  O13  1  0.423  0.474  0.798  1.0
[/CIF]
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The compound described by LuMoO4Cl crystallizes in the triclinic P-1 space group. Lu(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), two equivalent O(4), and two equivalent Cl(1) atoms. Mo(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Lu(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Lu(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Lu(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Lu(1) and one Mo(1) atom. Cl(1) is bonded in a water-like geometry to two equivalent Lu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LuMoClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.940
_cell_length_b   6.501
_cell_length_c   6.940
_cell_angle_alpha   73.475
_cell_angle_beta   77.852
_cell_angle_gamma   71.098
_symmetry_Int_Tables_number   1
_cell_volume   240.984
_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
  Lu  Lu0  1  0.758  0.802  0.131  1.0
  Lu  Lu1  1  0.242  0.198  0.869  1.0
  Mo  Mo2  1  0.624  0.644  0.733  1.0
  Mo  Mo3  1  0.376  0.356  0.267  1.0
  Cl  Cl4  1  0.010  0.025  0.226  1.0
  Cl  Cl5  1  0.990  0.975  0.774  1.0
  O  O6  1  0.091  0.523  0.190  1.0
  O  O7  1  0.909  0.477  0.810  1.0
  O  O8  1  0.344  0.250  0.534  1.0
  O  O9  1  0.577  0.526  0.202  1.0
  O  O10  1  0.656  0.750  0.466  1.0
  O  O11  1  0.478  0.130  0.129  1.0
  O  O12  1  0.522  0.870  0.871  1.0
  O  O13  1  0.423  0.474  0.798  1.0
[/CIF]
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