The crystal structure described by LiYMo2O8 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(7), and one O(8) atom. Y(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(8) atom. In the second Mo site, Mo(2) is bonded in a tetrahedral geometry to one O(1), one O(5), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Y(1), and one Mo(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Y(1), and one Mo(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Mo(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one Mo(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one Mo(1) atom. is represented by the CIF file [CIF]
data_LiY(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.276
_cell_length_b   6.796
_cell_length_c   10.514
_cell_angle_alpha   100.911
_cell_angle_beta   99.455
_cell_angle_gamma   112.723
_symmetry_Int_Tables_number   1
_cell_volume   329.538
_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
  Li  Li0  1  0.665  0.622  0.874  1.0
  Li  Li1  1  0.335  0.378  0.126  1.0
  Y  Y2  1  0.624  0.771  0.439  1.0
  Y  Y3  1  0.376  0.229  0.561  1.0
  Mo  Mo4  1  0.102  0.847  0.204  1.0
  Mo  Mo5  1  0.898  0.153  0.796  1.0
  Mo  Mo6  1  0.163  0.701  0.679  1.0
  Mo  Mo7  1  0.837  0.299  0.321  1.0
  O  O8  1  0.708  0.503  0.294  1.0
  O  O9  1  0.981  0.044  0.636  1.0
  O  O10  1  0.801  0.683  0.069  1.0
  O  O11  1  0.292  0.497  0.706  1.0
  O  O12  1  0.705  0.320  0.764  1.0
  O  O13  1  0.199  0.317  0.931  1.0
  O  O14  1  0.019  0.956  0.364  1.0
  O  O15  1  0.376  0.883  0.586  1.0
  O  O16  1  0.795  0.563  0.568  1.0
  O  O17  1  0.876  0.177  0.170  1.0
  O  O18  1  0.205  0.437  0.432  1.0
  O  O19  1  0.624  0.117  0.414  1.0
  O  O20  1  0.675  0.924  0.842  1.0
  O  O21  1  0.295  0.680  0.236  1.0
  O  O22  1  0.325  0.076  0.158  1.0
  O  O23  1  0.124  0.823  0.830  1.0
[/CIF]
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The crystal structure described by LiYMo2O8 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(7), and one O(8) atom. Y(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(8) atom. In the second Mo site, Mo(2) is bonded in a tetrahedral geometry to one O(1), one O(5), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Y(1), and one Mo(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Y(1), and one Mo(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Mo(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one Mo(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one Mo(1) atom. is represented by the CIF file [CIF]
data_LiY(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.276
_cell_length_b   6.796
_cell_length_c   10.514
_cell_angle_alpha   100.911
_cell_angle_beta   99.455
_cell_angle_gamma   112.723
_symmetry_Int_Tables_number   1
_cell_volume   329.538
_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
  Li  Li0  1  0.665  0.622  0.874  1.0
  Li  Li1  1  0.335  0.378  0.126  1.0
  Y  Y2  1  0.624  0.771  0.439  1.0
  Y  Y3  1  0.376  0.229  0.561  1.0
  Mo  Mo4  1  0.102  0.847  0.204  1.0
  Mo  Mo5  1  0.898  0.153  0.796  1.0
  Mo  Mo6  1  0.163  0.701  0.679  1.0
  Mo  Mo7  1  0.837  0.299  0.321  1.0
  O  O8  1  0.708  0.503  0.294  1.0
  O  O9  1  0.981  0.044  0.636  1.0
  O  O10  1  0.801  0.683  0.069  1.0
  O  O11  1  0.292  0.497  0.706  1.0
  O  O12  1  0.705  0.320  0.764  1.0
  O  O13  1  0.199  0.317  0.931  1.0
  O  O14  1  0.019  0.956  0.364  1.0
  O  O15  1  0.376  0.883  0.586  1.0
  O  O16  1  0.795  0.563  0.568  1.0
  O  O17  1  0.876  0.177  0.170  1.0
  O  O18  1  0.205  0.437  0.432  1.0
  O  O19  1  0.624  0.117  0.414  1.0
  O  O20  1  0.675  0.924  0.842  1.0
  O  O21  1  0.295  0.680  0.236  1.0
  O  O22  1  0.325  0.076  0.158  1.0
  O  O23  1  0.124  0.823  0.830  1.0
[/CIF]
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