The compound described by LuWO4Cl 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. W(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 W(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Lu(1) and one W(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Lu(1) and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Lu(1) and one W(1) atom. Cl(1) is bonded in a water-like geometry to two equivalent Lu(1) atoms. is represented by the CIF card [CIF]
data_LuWClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.986
_cell_length_b   6.535
_cell_length_c   6.960
_cell_angle_alpha   73.443
_cell_angle_beta   77.167
_cell_angle_gamma   70.707
_symmetry_Int_Tables_number   1
_cell_volume   243.856
_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  0.241  0.202  0.867  1.0
  Lu  Lu1  1  0.759  0.798  0.133  1.0
  W  W2  1  0.378  0.356  0.265  1.0
  W  W3  1  0.622  0.644  0.735  1.0
  Cl  Cl4  1  0.004  0.027  0.224  1.0
  Cl  Cl5  1  0.996  0.973  0.776  1.0
  O  O6  1  0.348  0.256  0.535  1.0
  O  O7  1  0.652  0.744  0.465  1.0
  O  O8  1  0.423  0.469  0.809  1.0
  O  O9  1  0.577  0.531  0.191  1.0
  O  O10  1  0.911  0.480  0.807  1.0
  O  O11  1  0.089  0.520  0.193  1.0
  O  O12  1  0.477  0.124  0.132  1.0
  O  O13  1  0.523  0.876  0.868  1.0
[/CIF]
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The compound described by LuWO4Cl 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. W(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 W(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Lu(1) and one W(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Lu(1) and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Lu(1) and one W(1) atom. Cl(1) is bonded in a water-like geometry to two equivalent Lu(1) atoms. is represented by the CIF card [CIF]
data_LuWClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.986
_cell_length_b   6.535
_cell_length_c   6.960
_cell_angle_alpha   73.443
_cell_angle_beta   77.167
_cell_angle_gamma   70.707
_symmetry_Int_Tables_number   1
_cell_volume   243.856
_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  0.241  0.202  0.867  1.0
  Lu  Lu1  1  0.759  0.798  0.133  1.0
  W  W2  1  0.378  0.356  0.265  1.0
  W  W3  1  0.622  0.644  0.735  1.0
  Cl  Cl4  1  0.004  0.027  0.224  1.0
  Cl  Cl5  1  0.996  0.973  0.776  1.0
  O  O6  1  0.348  0.256  0.535  1.0
  O  O7  1  0.652  0.744  0.465  1.0
  O  O8  1  0.423  0.469  0.809  1.0
  O  O9  1  0.577  0.531  0.191  1.0
  O  O10  1  0.911  0.480  0.807  1.0
  O  O11  1  0.089  0.520  0.193  1.0
  O  O12  1  0.477  0.124  0.132  1.0
  O  O13  1  0.523  0.876  0.868  1.0
[/CIF]
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