The material described by LiLu2W2(O4Cl)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(4), one O(6), one O(8), one Cl(1), and one Cl(2) atom. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(7), one O(8), one Cl(1), and one Cl(2) atom. In the second Lu site, Lu(2) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(6), one O(7), one O(8), one Cl(1), and one Cl(2) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded in a tetrahedral geometry to one O(1), one O(4), one O(6), and one O(7) atom. In the second W site, W(2) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(5), and one O(8) atom. There are eight 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 bent 150 degrees geometry to one Lu(2) and one W(2) atom. In the third O site, O(3) is bonded in a linear geometry to one Lu(1) and one W(2) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Li(1), one Lu(2), and one W(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Lu(1) and one W(2) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Li(1), one Lu(2), and one W(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Lu(1), one Lu(2), and one W(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Lu(1), one Lu(2), and one W(2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Li(1), one Lu(1), and one Lu(2) atom. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to one Li(1), one Lu(1), and one Lu(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiLu2W2(ClO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.991
_cell_length_b   6.610
_cell_length_c   7.161
_cell_angle_alpha   73.770
_cell_angle_beta   78.333
_cell_angle_gamma   69.569
_symmetry_Int_Tables_number   1
_cell_volume   253.410
_cell_formula_units_Z   1
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
  Li  Li0  1  0.253  0.751  0.060  1.0
  Lu  Lu1  1  0.258  0.220  0.858  1.0
  Lu  Lu2  1  0.744  0.773  0.146  1.0
  W  W3  1  0.387  0.323  0.280  1.0
  W  W4  1  0.630  0.649  0.724  1.0
  Cl  Cl5  1  0.003  0.035  0.220  1.0
  Cl  Cl6  1  0.995  0.963  0.797  1.0
  O  O7  1  0.353  0.251  0.548  1.0
  O  O8  1  0.656  0.755  0.462  1.0
  O  O9  1  0.431  0.484  0.793  1.0
  O  O10  1  0.541  0.550  0.190  1.0
  O  O11  1  0.919  0.480  0.802  1.0
  O  O12  1  0.094  0.526  0.181  1.0
  O  O13  1  0.480  0.120  0.114  1.0
  O  O14  1  0.515  0.870  0.864  1.0
[/CIF]
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The material described by LiLu2W2(O4Cl)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(4), one O(6), one O(8), one Cl(1), and one Cl(2) atom. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(7), one O(8), one Cl(1), and one Cl(2) atom. In the second Lu site, Lu(2) is bonded in a 7-coordinate geometry to one O(2), one O(4), one O(6), one O(7), one O(8), one Cl(1), and one Cl(2) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded in a tetrahedral geometry to one O(1), one O(4), one O(6), and one O(7) atom. In the second W site, W(2) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(5), and one O(8) atom. There are eight 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 bent 150 degrees geometry to one Lu(2) and one W(2) atom. In the third O site, O(3) is bonded in a linear geometry to one Lu(1) and one W(2) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Li(1), one Lu(2), and one W(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Lu(1) and one W(2) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Li(1), one Lu(2), and one W(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Lu(1), one Lu(2), and one W(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Lu(1), one Lu(2), and one W(2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Li(1), one Lu(1), and one Lu(2) atom. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to one Li(1), one Lu(1), and one Lu(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiLu2W2(ClO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.991
_cell_length_b   6.610
_cell_length_c   7.161
_cell_angle_alpha   73.770
_cell_angle_beta   78.333
_cell_angle_gamma   69.569
_symmetry_Int_Tables_number   1
_cell_volume   253.410
_cell_formula_units_Z   1
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
  Li  Li0  1  0.253  0.751  0.060  1.0
  Lu  Lu1  1  0.258  0.220  0.858  1.0
  Lu  Lu2  1  0.744  0.773  0.146  1.0
  W  W3  1  0.387  0.323  0.280  1.0
  W  W4  1  0.630  0.649  0.724  1.0
  Cl  Cl5  1  0.003  0.035  0.220  1.0
  Cl  Cl6  1  0.995  0.963  0.797  1.0
  O  O7  1  0.353  0.251  0.548  1.0
  O  O8  1  0.656  0.755  0.462  1.0
  O  O9  1  0.431  0.484  0.793  1.0
  O  O10  1  0.541  0.550  0.190  1.0
  O  O11  1  0.919  0.480  0.802  1.0
  O  O12  1  0.094  0.526  0.181  1.0
  O  O13  1  0.480  0.120  0.114  1.0
  O  O14  1  0.515  0.870  0.864  1.0
[/CIF]
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