The crystal structure described by YbCu2(MoO4)3 crystallizes in the monoclinic P2_1/m space group. Yb(1) is bonded to one O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form distorted YbO7 pentagonal bipyramids that share corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one Mo(2)O4 tetrahedra, and corners with six equivalent Mo(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form MoO4 tetrahedra that share corners with three equivalent Cu(1)O6 octahedra and corners with three equivalent Yb(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 52-61°. In the second Mo site, Mo(2) is bonded to one O(1), one O(7), and two equivalent O(3) atoms to form MoO4 tetrahedra that share corners with six equivalent Cu(1)O6 octahedra and  a cornercorner with one Yb(1)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 44-64°. Cu(1) is bonded to one O(2), one O(7), two equivalent O(3), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Yb(1)O7 pentagonal bipyramid, corners with three equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Yb(1) and one Mo(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Yb(1), one Mo(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mo(2) and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mo(1) and two equivalent Cu(1) atoms. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Yb(1) and one Mo(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Yb(1) and one Mo(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mo(2) and two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbCu2(MoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.155
_cell_length_b   5.121
_cell_length_c   8.821
_cell_angle_alpha   86.357
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   502.931
_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  0.750  0.296  0.049  1.0
  Yb  Yb1  1  0.250  0.704  0.951  1.0
  Cu  Cu2  1  0.579  0.263  0.445  1.0
  Cu  Cu3  1  0.921  0.263  0.445  1.0
  Cu  Cu4  1  0.079  0.737  0.555  1.0
  Cu  Cu5  1  0.421  0.737  0.555  1.0
  Mo  Mo6  1  0.026  0.181  0.802  1.0
  Mo  Mo7  1  0.750  0.723  0.612  1.0
  Mo  Mo8  1  0.250  0.277  0.388  1.0
  Mo  Mo9  1  0.526  0.819  0.198  1.0
  Mo  Mo10  1  0.974  0.819  0.198  1.0
  Mo  Mo11  1  0.474  0.181  0.802  1.0
  O  O12  1  0.750  0.580  0.797  1.0
  O  O13  1  0.613  0.108  0.249  1.0
  O  O14  1  0.250  0.420  0.203  1.0
  O  O15  1  0.882  0.933  0.579  1.0
  O  O16  1  0.487  0.591  0.364  1.0
  O  O17  1  0.118  0.067  0.421  1.0
  O  O18  1  0.380  0.373  0.907  1.0
  O  O19  1  0.896  0.105  0.910  1.0
  O  O20  1  0.387  0.892  0.751  1.0
  O  O21  1  0.513  0.409  0.636  1.0
  O  O22  1  0.880  0.627  0.093  1.0
  O  O23  1  0.250  0.536  0.524  1.0
  O  O24  1  0.620  0.627  0.093  1.0
  O  O25  1  0.104  0.895  0.090  1.0
  O  O26  1  0.382  0.067  0.421  1.0
  O  O27  1  0.987  0.409  0.636  1.0
  O  O28  1  0.120  0.373  0.907  1.0
  O  O29  1  0.113  0.892  0.751  1.0
  O  O30  1  0.013  0.591  0.364  1.0
  O  O31  1  0.604  0.105  0.910  1.0
  O  O32  1  0.750  0.464  0.476  1.0
  O  O33  1  0.618  0.933  0.579  1.0
  O  O34  1  0.396  0.895  0.090  1.0
  O  O35  1  0.887  0.108  0.249  1.0
[/CIF]
.
The crystal structure described by YbCu2(MoO4)3 crystallizes in the monoclinic P2_1/m space group. Yb(1) is bonded to one O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form distorted YbO7 pentagonal bipyramids that share corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one Mo(2)O4 tetrahedra, and corners with six equivalent Mo(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form MoO4 tetrahedra that share corners with three equivalent Cu(1)O6 octahedra and corners with three equivalent Yb(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 52-61°. In the second Mo site, Mo(2) is bonded to one O(1), one O(7), and two equivalent O(3) atoms to form MoO4 tetrahedra that share corners with six equivalent Cu(1)O6 octahedra and  a cornercorner with one Yb(1)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 44-64°. Cu(1) is bonded to one O(2), one O(7), two equivalent O(3), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Yb(1)O7 pentagonal bipyramid, corners with three equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Yb(1) and one Mo(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Yb(1), one Mo(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mo(2) and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mo(1) and two equivalent Cu(1) atoms. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Yb(1) and one Mo(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Yb(1) and one Mo(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mo(2) and two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbCu2(MoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.155
_cell_length_b   5.121
_cell_length_c   8.821
_cell_angle_alpha   86.357
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   502.931
_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  0.750  0.296  0.049  1.0
  Yb  Yb1  1  0.250  0.704  0.951  1.0
  Cu  Cu2  1  0.579  0.263  0.445  1.0
  Cu  Cu3  1  0.921  0.263  0.445  1.0
  Cu  Cu4  1  0.079  0.737  0.555  1.0
  Cu  Cu5  1  0.421  0.737  0.555  1.0
  Mo  Mo6  1  0.026  0.181  0.802  1.0
  Mo  Mo7  1  0.750  0.723  0.612  1.0
  Mo  Mo8  1  0.250  0.277  0.388  1.0
  Mo  Mo9  1  0.526  0.819  0.198  1.0
  Mo  Mo10  1  0.974  0.819  0.198  1.0
  Mo  Mo11  1  0.474  0.181  0.802  1.0
  O  O12  1  0.750  0.580  0.797  1.0
  O  O13  1  0.613  0.108  0.249  1.0
  O  O14  1  0.250  0.420  0.203  1.0
  O  O15  1  0.882  0.933  0.579  1.0
  O  O16  1  0.487  0.591  0.364  1.0
  O  O17  1  0.118  0.067  0.421  1.0
  O  O18  1  0.380  0.373  0.907  1.0
  O  O19  1  0.896  0.105  0.910  1.0
  O  O20  1  0.387  0.892  0.751  1.0
  O  O21  1  0.513  0.409  0.636  1.0
  O  O22  1  0.880  0.627  0.093  1.0
  O  O23  1  0.250  0.536  0.524  1.0
  O  O24  1  0.620  0.627  0.093  1.0
  O  O25  1  0.104  0.895  0.090  1.0
  O  O26  1  0.382  0.067  0.421  1.0
  O  O27  1  0.987  0.409  0.636  1.0
  O  O28  1  0.120  0.373  0.907  1.0
  O  O29  1  0.113  0.892  0.751  1.0
  O  O30  1  0.013  0.591  0.364  1.0
  O  O31  1  0.604  0.105  0.910  1.0
  O  O32  1  0.750  0.464  0.476  1.0
  O  O33  1  0.618  0.933  0.579  1.0
  O  O34  1  0.396  0.895  0.090  1.0
  O  O35  1  0.887  0.108  0.249  1.0
[/CIF]
.