The material described by YbCu(WO4)2 crystallizes in the monoclinic P2/c space group. Yb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form YbO6 octahedra that share corners with eight equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. W(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted WO6 octahedra that share corners with four equivalent Yb(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Yb(1), one W(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent W(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Yb(1), one W(1), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Yb(1) and two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.035
_cell_length_b   5.062
_cell_length_c   10.832
_cell_angle_alpha   65.507
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   301.121
_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
  Yb  Yb0  1  0.345  0.000  0.250  1.0
  Yb  Yb1  1  0.655  0.000  0.750  1.0
  Cu  Cu2  1  0.717  0.500  0.250  1.0
  Cu  Cu3  1  0.283  0.500  0.750  1.0
  W  W4  1  0.167  0.749  0.995  1.0
  W  W5  1  0.833  0.251  0.005  1.0
  W  W6  1  0.167  0.251  0.505  1.0
  W  W7  1  0.833  0.749  0.495  1.0
  O  O8  1  0.339  0.717  0.859  1.0
  O  O9  1  0.339  0.283  0.641  1.0
  O  O10  1  0.661  0.283  0.141  1.0
  O  O11  1  0.661  0.717  0.359  1.0
  O  O12  1  0.909  0.165  0.393  1.0
  O  O13  1  0.909  0.835  0.107  1.0
  O  O14  1  0.091  0.835  0.607  1.0
  O  O15  1  0.091  0.165  0.893  1.0
  O  O16  1  0.620  0.225  0.892  1.0
  O  O17  1  0.620  0.775  0.608  1.0
  O  O18  1  0.380  0.775  0.108  1.0
  O  O19  1  0.380  0.225  0.392  1.0
  O  O20  1  0.112  0.657  0.399  1.0
  O  O21  1  0.112  0.343  0.101  1.0
  O  O22  1  0.888  0.343  0.601  1.0
  O  O23  1  0.888  0.657  0.899  1.0
[/CIF]
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The material described by YbCu(WO4)2 crystallizes in the monoclinic P2/c space group. Yb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form YbO6 octahedra that share corners with eight equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. W(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted WO6 octahedra that share corners with four equivalent Yb(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Yb(1), one W(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent W(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Yb(1), one W(1), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Yb(1) and two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.035
_cell_length_b   5.062
_cell_length_c   10.832
_cell_angle_alpha   65.507
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   301.121
_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
  Yb  Yb0  1  0.345  0.000  0.250  1.0
  Yb  Yb1  1  0.655  0.000  0.750  1.0
  Cu  Cu2  1  0.717  0.500  0.250  1.0
  Cu  Cu3  1  0.283  0.500  0.750  1.0
  W  W4  1  0.167  0.749  0.995  1.0
  W  W5  1  0.833  0.251  0.005  1.0
  W  W6  1  0.167  0.251  0.505  1.0
  W  W7  1  0.833  0.749  0.495  1.0
  O  O8  1  0.339  0.717  0.859  1.0
  O  O9  1  0.339  0.283  0.641  1.0
  O  O10  1  0.661  0.283  0.141  1.0
  O  O11  1  0.661  0.717  0.359  1.0
  O  O12  1  0.909  0.165  0.393  1.0
  O  O13  1  0.909  0.835  0.107  1.0
  O  O14  1  0.091  0.835  0.607  1.0
  O  O15  1  0.091  0.165  0.893  1.0
  O  O16  1  0.620  0.225  0.892  1.0
  O  O17  1  0.620  0.775  0.608  1.0
  O  O18  1  0.380  0.775  0.108  1.0
  O  O19  1  0.380  0.225  0.392  1.0
  O  O20  1  0.112  0.657  0.399  1.0
  O  O21  1  0.112  0.343  0.101  1.0
  O  O22  1  0.888  0.343  0.601  1.0
  O  O23  1  0.888  0.657  0.899  1.0
[/CIF]
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