The material structure described by LiYb(WO4)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Yb(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms. In the second W site, W(2) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(6), and two equivalent O(8) atoms. 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 Yb(1), and one W(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 W(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Yb(1), and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Yb(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent W(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent W(2) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Yb(1) and two equivalent W(1) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Yb(1) and two equivalent W(2) atoms. is represented by the CIF card [CIF]
data_LiYb(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.849
_cell_length_b   5.924
_cell_length_c   4.931
_cell_angle_alpha   90.017
_cell_angle_beta   91.839
_cell_angle_gamma   90.060
_symmetry_Int_Tables_number   1
_cell_volume   287.554
_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  0.749  0.716  0.251  1.0
  Li  Li1  1  0.251  0.284  0.749  1.0
  Yb  Yb2  1  0.750  0.332  0.750  1.0
  Yb  Yb3  1  0.250  0.668  0.250  1.0
  W  W4  1  0.510  0.818  0.756  1.0
  W  W5  1  0.490  0.182  0.244  1.0
  W  W6  1  0.990  0.818  0.744  1.0
  W  W7  1  0.010  0.182  0.256  1.0
  O  O8  1  0.612  0.375  0.383  1.0
  O  O9  1  0.388  0.625  0.617  1.0
  O  O10  1  0.888  0.375  0.117  1.0
  O  O11  1  0.112  0.626  0.883  1.0
  O  O12  1  0.635  0.642  0.911  1.0
  O  O13  1  0.365  0.358  0.089  1.0
  O  O14  1  0.864  0.642  0.589  1.0
  O  O15  1  0.136  0.358  0.411  1.0
  O  O16  1  0.607  0.908  0.446  1.0
  O  O17  1  0.392  0.092  0.554  1.0
  O  O18  1  0.893  0.908  0.055  1.0
  O  O19  1  0.107  0.093  0.945  1.0
  O  O20  1  0.597  0.109  0.936  1.0
  O  O21  1  0.403  0.891  0.064  1.0
  O  O22  1  0.903  0.109  0.564  1.0
  O  O23  1  0.097  0.891  0.436  1.0
[/CIF]
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The material structure described by LiYb(WO4)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Yb(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms. In the second W site, W(2) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(6), and two equivalent O(8) atoms. 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 Yb(1), and one W(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 W(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Yb(1), and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Yb(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent W(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent W(2) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Yb(1) and two equivalent W(1) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Yb(1) and two equivalent W(2) atoms. is represented by the CIF card [CIF]
data_LiYb(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.849
_cell_length_b   5.924
_cell_length_c   4.931
_cell_angle_alpha   90.017
_cell_angle_beta   91.839
_cell_angle_gamma   90.060
_symmetry_Int_Tables_number   1
_cell_volume   287.554
_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  0.749  0.716  0.251  1.0
  Li  Li1  1  0.251  0.284  0.749  1.0
  Yb  Yb2  1  0.750  0.332  0.750  1.0
  Yb  Yb3  1  0.250  0.668  0.250  1.0
  W  W4  1  0.510  0.818  0.756  1.0
  W  W5  1  0.490  0.182  0.244  1.0
  W  W6  1  0.990  0.818  0.744  1.0
  W  W7  1  0.010  0.182  0.256  1.0
  O  O8  1  0.612  0.375  0.383  1.0
  O  O9  1  0.388  0.625  0.617  1.0
  O  O10  1  0.888  0.375  0.117  1.0
  O  O11  1  0.112  0.626  0.883  1.0
  O  O12  1  0.635  0.642  0.911  1.0
  O  O13  1  0.365  0.358  0.089  1.0
  O  O14  1  0.864  0.642  0.589  1.0
  O  O15  1  0.136  0.358  0.411  1.0
  O  O16  1  0.607  0.908  0.446  1.0
  O  O17  1  0.392  0.092  0.554  1.0
  O  O18  1  0.893  0.908  0.055  1.0
  O  O19  1  0.107  0.093  0.945  1.0
  O  O20  1  0.597  0.109  0.936  1.0
  O  O21  1  0.403  0.891  0.064  1.0
  O  O22  1  0.903  0.109  0.564  1.0
  O  O23  1  0.097  0.891  0.436  1.0
[/CIF]
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