The structure described by LiYMo2O8 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms. Y(1) is bonded in a 8-coordinate geometry to one O(1), one O(5), two equivalent O(3), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form distorted corner-sharing MoO5 tetrahedra. In the second Mo site, Mo(2) is bonded to one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form distorted corner-sharing MoO5 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Y(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Mo(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Y(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Mo(1), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Y(1), and one Mo(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Li(1) and one Mo(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Y(1) and one Mo(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Mo(2) atom. is represented by the CIF file [CIF]
data_LiY(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.048
_cell_length_b   6.748
_cell_length_c   9.905
_cell_angle_alpha   98.115
_cell_angle_beta   100.967
_cell_angle_gamma   110.388
_symmetry_Int_Tables_number   1
_cell_volume   302.507
_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  0.318  0.165  0.951  1.0
  Li  Li1  1  0.682  0.835  0.049  1.0
  Y  Y2  1  0.191  0.316  0.567  1.0
  Y  Y3  1  0.809  0.684  0.433  1.0
  Mo  Mo4  1  0.949  0.610  0.812  1.0
  Mo  Mo5  1  0.051  0.390  0.188  1.0
  Mo  Mo6  1  0.442  0.070  0.299  1.0
  Mo  Mo7  1  0.558  0.930  0.701  1.0
  O  O8  1  0.042  0.381  0.764  1.0
  O  O9  1  0.958  0.619  0.236  1.0
  O  O10  1  0.307  0.830  0.883  1.0
  O  O11  1  0.693  0.170  0.117  1.0
  O  O12  1  0.667  0.579  0.643  1.0
  O  O13  1  0.333  0.421  0.357  1.0
  O  O14  1  0.163  0.056  0.151  1.0
  O  O15  1  0.837  0.944  0.849  1.0
  O  O16  1  0.563  0.852  0.269  1.0
  O  O17  1  0.437  0.148  0.731  1.0
  O  O18  1  0.763  0.567  0.944  1.0
  O  O19  1  0.237  0.433  0.056  1.0
  O  O20  1  0.787  0.310  0.402  1.0
  O  O21  1  0.213  0.690  0.598  1.0
  O  O22  1  0.228  0.017  0.431  1.0
  O  O23  1  0.772  0.983  0.569  1.0
[/CIF]
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The structure described by LiYMo2O8 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms. Y(1) is bonded in a 8-coordinate geometry to one O(1), one O(5), two equivalent O(3), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form distorted corner-sharing MoO5 tetrahedra. In the second Mo site, Mo(2) is bonded to one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form distorted corner-sharing MoO5 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Y(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Mo(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Y(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Mo(1), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Y(1), and one Mo(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Li(1) and one Mo(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Y(1) and one Mo(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Mo(2) atom. is represented by the CIF file [CIF]
data_LiY(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.048
_cell_length_b   6.748
_cell_length_c   9.905
_cell_angle_alpha   98.115
_cell_angle_beta   100.967
_cell_angle_gamma   110.388
_symmetry_Int_Tables_number   1
_cell_volume   302.507
_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  0.318  0.165  0.951  1.0
  Li  Li1  1  0.682  0.835  0.049  1.0
  Y  Y2  1  0.191  0.316  0.567  1.0
  Y  Y3  1  0.809  0.684  0.433  1.0
  Mo  Mo4  1  0.949  0.610  0.812  1.0
  Mo  Mo5  1  0.051  0.390  0.188  1.0
  Mo  Mo6  1  0.442  0.070  0.299  1.0
  Mo  Mo7  1  0.558  0.930  0.701  1.0
  O  O8  1  0.042  0.381  0.764  1.0
  O  O9  1  0.958  0.619  0.236  1.0
  O  O10  1  0.307  0.830  0.883  1.0
  O  O11  1  0.693  0.170  0.117  1.0
  O  O12  1  0.667  0.579  0.643  1.0
  O  O13  1  0.333  0.421  0.357  1.0
  O  O14  1  0.163  0.056  0.151  1.0
  O  O15  1  0.837  0.944  0.849  1.0
  O  O16  1  0.563  0.852  0.269  1.0
  O  O17  1  0.437  0.148  0.731  1.0
  O  O18  1  0.763  0.567  0.944  1.0
  O  O19  1  0.237  0.433  0.056  1.0
  O  O20  1  0.787  0.310  0.402  1.0
  O  O21  1  0.213  0.690  0.598  1.0
  O  O22  1  0.228  0.017  0.431  1.0
  O  O23  1  0.772  0.983  0.569  1.0
[/CIF]
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