The material described by LiYb(MoO4)2 is Zircon-derived structured and crystallizes in the tetragonal I-4 space group. Li(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Yb(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. In the second Mo site, Mo(2) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Yb(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Yb(1), and one Mo(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiYb(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.738
_cell_length_b   6.738
_cell_length_c   6.738
_cell_angle_alpha   134.655
_cell_angle_beta   134.655
_cell_angle_gamma   66.067
_symmetry_Int_Tables_number   1
_cell_volume   152.445
_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  0.500  0.500  0.000  1.0
  Yb  Yb1  1  0.750  0.250  0.500  1.0
  Mo  Mo2  1  0.250  0.750  0.500  1.0
  Mo  Mo3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.495  0.591  0.412  1.0
  O  O5  1  0.179  0.083  0.588  1.0
  O  O6  1  0.917  0.505  0.096  1.0
  O  O7  1  0.409  0.821  0.904  1.0
  O  O8  1  0.066  0.666  0.910  1.0
  O  O9  1  0.756  0.156  0.090  1.0
  O  O10  1  0.844  0.934  0.600  1.0
  O  O11  1  0.334  0.244  0.400  1.0
[/CIF]
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The material described by LiYb(MoO4)2 is Zircon-derived structured and crystallizes in the tetragonal I-4 space group. Li(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Yb(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. In the second Mo site, Mo(2) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Yb(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Yb(1), and one Mo(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiYb(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.738
_cell_length_b   6.738
_cell_length_c   6.738
_cell_angle_alpha   134.655
_cell_angle_beta   134.655
_cell_angle_gamma   66.067
_symmetry_Int_Tables_number   1
_cell_volume   152.445
_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  0.500  0.500  0.000  1.0
  Yb  Yb1  1  0.750  0.250  0.500  1.0
  Mo  Mo2  1  0.250  0.750  0.500  1.0
  Mo  Mo3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.495  0.591  0.412  1.0
  O  O5  1  0.179  0.083  0.588  1.0
  O  O6  1  0.917  0.505  0.096  1.0
  O  O7  1  0.409  0.821  0.904  1.0
  O  O8  1  0.066  0.666  0.910  1.0
  O  O9  1  0.756  0.156  0.090  1.0
  O  O10  1  0.844  0.934  0.600  1.0
  O  O11  1  0.334  0.244  0.400  1.0
[/CIF]
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