The structure described by LiYb4(Ru2O7)2 crystallizes in the monoclinic Cm space group. Li(1) is bonded to one O(5), one O(7), two equivalent O(3), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with three equivalent Yb(1)O8 hexagonal bipyramids, corners with three equivalent Yb(3)O8 hexagonal bipyramids, corners with six equivalent Yb(2)O8 hexagonal bipyramids,  a faceface with one Ru(1)O6 octahedra,  a faceface with one Ru(3)O6 octahedra, and faces with two equivalent Ru(2)O6 octahedra. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one O(1), one O(2), one O(7), one O(9), two equivalent O(3), and two equivalent O(8) atoms to form distorted YbO8 hexagonal bipyramids that share corners with three equivalent Li(1)O6 octahedra, edges with two equivalent Yb(3)O8 hexagonal bipyramids, edges with four equivalent Yb(2)O8 hexagonal bipyramids, edges with two equivalent Ru(3)O6 octahedra, and edges with four equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. In the second Yb site, Yb(2) is bonded to one O(1), one O(10), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted YbO8 hexagonal bipyramids that share corners with three equivalent Li(1)O6 octahedra, edges with two equivalent Yb(1)O8 hexagonal bipyramids, edges with two equivalent Yb(2)O8 hexagonal bipyramids, edges with two equivalent Yb(3)O8 hexagonal bipyramids, edges with two equivalent Ru(1)O6 octahedra, edges with two equivalent Ru(2)O6 octahedra, and edges with two equivalent Ru(3)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. In the third Yb site, Yb(3) is bonded to one O(1), one O(2), one O(7), one O(9), two equivalent O(4), and two equivalent O(6) atoms to form distorted YbO8 hexagonal bipyramids that share corners with three equivalent Li(1)O6 octahedra, edges with two equivalent Yb(1)O8 hexagonal bipyramids, edges with four equivalent Yb(2)O8 hexagonal bipyramids, edges with two equivalent Ru(1)O6 octahedra, and edges with four equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(10), one O(5), two equivalent O(4), and two equivalent O(6) atoms to form distorted RuO6 octahedra that share corners with two equivalent Ru(3)O6 octahedra, corners with four equivalent Ru(2)O6 octahedra, edges with two equivalent Yb(3)O8 hexagonal bipyramids, edges with four equivalent Yb(2)O8 hexagonal bipyramids, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-48°. In the second Ru site, Ru(2) is bonded to one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form distorted RuO6 octahedra that share corners with two equivalent Ru(1)O6 octahedra, corners with two equivalent Ru(2)O6 octahedra, corners with two equivalent Ru(3)O6 octahedra, edges with two equivalent Yb(1)O8 hexagonal bipyramids, edges with two equivalent Yb(2)O8 hexagonal bipyramids, edges with two equivalent Yb(3)O8 hexagonal bipyramids, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-48°. In the third Ru site, Ru(3) is bonded to one O(10), one O(5), two equivalent O(3), and two equivalent O(8) atoms to form distorted RuO6 octahedra that share corners with two equivalent Ru(1)O6 octahedra, corners with four equivalent Ru(2)O6 octahedra, edges with two equivalent Yb(1)O8 hexagonal bipyramids, edges with four equivalent Yb(2)O8 hexagonal bipyramids, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-48°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Yb(1), one Yb(3), and two equivalent Yb(2) atoms to form OYb4 tetrahedra that share corners with two equivalent O(10)Yb2Ru2 tetrahedra, corners with two equivalent O(9)Yb2Ru2 tetrahedra, corners with four equivalent O(4)Yb2Ru2 tetrahedra, corners with four equivalent O(8)Yb2Ru2 tetrahedra, and corners with four equivalent O(2)Yb4 tetrahedra. In the second O site, O(2) is bonded to one Yb(1), one Yb(3), and two equivalent Yb(2) atoms to form OYb4 tetrahedra that share corners with four equivalent O(1)Yb4 tetrahedra,  an edgeedge with one O(10)Yb2Ru2 tetrahedra,  an edgeedge with one O(9)Yb2Ru2 tetrahedra, edges with two equivalent O(4)Yb2Ru2 tetrahedra, and edges with two equivalent O(8)Yb2Ru2 tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Yb(1), one Yb(2), one Ru(2), and one Ru(3) atom. In the fourth O site, O(4) is bonded to one Yb(2), one Yb(3), one Ru(1), and one Ru(2) atom to form distorted OYb2Ru2 tetrahedra that share corners with two equivalent O(10)Yb2Ru2 tetrahedra, corners with two equivalent O(4)Yb2Ru2 tetrahedra, corners with two equivalent O(8)Yb2Ru2 tetrahedra, corners with two equivalent O(9)Yb2Ru2 tetrahedra, corners with two equivalent O(1)Yb4 tetrahedra, and  an edgeedge with one O(2)Yb4 tetrahedra. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Yb(2), one Ru(1), and one Ru(3) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Yb(2), one Yb(3), one Ru(1), and one Ru(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(1), one Yb(1), one Yb(3), and two equivalent Ru(2) atoms. In the eighth O site, O(8) is bonded to one Yb(1), one Yb(2), one Ru(2), and one Ru(3) atom to form distorted OYb2Ru2 tetrahedra that share corners with two equivalent O(10)Yb2Ru2 tetrahedra, corners with two equivalent O(4)Yb2Ru2 tetrahedra, corners with two equivalent O(8)Yb2Ru2 tetrahedra, corners with two equivalent O(9)Yb2Ru2 tetrahedra, corners with two equivalent O(1)Yb4 tetrahedra, and  an edgeedge with one O(2)Yb4 tetrahedra. In the ninth O site, O(9) is bonded to one Yb(1), one Yb(3), and two equivalent Ru(2) atoms to form distorted OYb2Ru2 tetrahedra that share corners with two equivalent O(1)Yb4 tetrahedra, corners with four equivalent O(4)Yb2Ru2 tetrahedra, corners with four equivalent O(8)Yb2Ru2 tetrahedra, and  an edgeedge with one O(2)Yb4 tetrahedra. In the tenth O site, O(10) is bonded to two equivalent Yb(2), one Ru(1), and one Ru(3) atom to form distorted OYb2Ru2 tetrahedra that share corners with two equivalent O(1)Yb4 tetrahedra, corners with four equivalent O(4)Yb2Ru2 tetrahedra, corners with four equivalent O(8)Yb2Ru2 tetrahedra, and  an edgeedge with one O(2)Yb4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiYb4(Ru2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.288
_cell_length_b   7.296
_cell_length_c   7.287
_cell_angle_alpha   59.946
_cell_angle_beta   60.006
_cell_angle_gamma   59.949
_symmetry_Int_Tables_number   1
_cell_volume   273.783
_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  0.124  0.126  0.124  1.0
  Yb  Yb1  1  0.500  0.001  0.500  1.0
  Yb  Yb2  1  0.001  0.499  0.500  1.0
  Yb  Yb3  1  0.500  0.499  0.001  1.0
  Yb  Yb4  1  0.500  0.500  0.500  1.0
  Ru  Ru5  1  0.996  0.513  0.996  1.0
  Ru  Ru6  1  0.512  0.996  0.996  1.0
  Ru  Ru7  1  0.996  0.996  0.512  1.0
  Ru  Ru8  1  0.996  0.996  0.995  1.0
  O  O9  1  0.624  0.626  0.624  1.0
  O  O10  1  0.375  0.375  0.375  1.0
  O  O11  1  0.322  0.928  0.927  1.0
  O  O12  1  0.072  0.679  0.678  1.0
  O  O13  1  0.928  0.322  0.928  1.0
  O  O14  1  0.927  0.928  0.322  1.0
  O  O15  1  0.322  0.323  0.927  1.0
  O  O16  1  0.321  0.929  0.321  1.0
  O  O17  1  0.927  0.323  0.322  1.0
  O  O18  1  0.678  0.679  0.072  1.0
  O  O19  1  0.072  0.071  0.677  1.0
  O  O20  1  0.677  0.071  0.072  1.0
  O  O21  1  0.679  0.071  0.679  1.0
  O  O22  1  0.071  0.679  0.071  1.0
[/CIF]
.
The structure described by LiYb4(Ru2O7)2 crystallizes in the monoclinic Cm space group. Li(1) is bonded to one O(5), one O(7), two equivalent O(3), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with three equivalent Yb(1)O8 hexagonal bipyramids, corners with three equivalent Yb(3)O8 hexagonal bipyramids, corners with six equivalent Yb(2)O8 hexagonal bipyramids,  a faceface with one Ru(1)O6 octahedra,  a faceface with one Ru(3)O6 octahedra, and faces with two equivalent Ru(2)O6 octahedra. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one O(1), one O(2), one O(7), one O(9), two equivalent O(3), and two equivalent O(8) atoms to form distorted YbO8 hexagonal bipyramids that share corners with three equivalent Li(1)O6 octahedra, edges with two equivalent Yb(3)O8 hexagonal bipyramids, edges with four equivalent Yb(2)O8 hexagonal bipyramids, edges with two equivalent Ru(3)O6 octahedra, and edges with four equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. In the second Yb site, Yb(2) is bonded to one O(1), one O(10), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted YbO8 hexagonal bipyramids that share corners with three equivalent Li(1)O6 octahedra, edges with two equivalent Yb(1)O8 hexagonal bipyramids, edges with two equivalent Yb(2)O8 hexagonal bipyramids, edges with two equivalent Yb(3)O8 hexagonal bipyramids, edges with two equivalent Ru(1)O6 octahedra, edges with two equivalent Ru(2)O6 octahedra, and edges with two equivalent Ru(3)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. In the third Yb site, Yb(3) is bonded to one O(1), one O(2), one O(7), one O(9), two equivalent O(4), and two equivalent O(6) atoms to form distorted YbO8 hexagonal bipyramids that share corners with three equivalent Li(1)O6 octahedra, edges with two equivalent Yb(1)O8 hexagonal bipyramids, edges with four equivalent Yb(2)O8 hexagonal bipyramids, edges with two equivalent Ru(1)O6 octahedra, and edges with four equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(10), one O(5), two equivalent O(4), and two equivalent O(6) atoms to form distorted RuO6 octahedra that share corners with two equivalent Ru(3)O6 octahedra, corners with four equivalent Ru(2)O6 octahedra, edges with two equivalent Yb(3)O8 hexagonal bipyramids, edges with four equivalent Yb(2)O8 hexagonal bipyramids, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-48°. In the second Ru site, Ru(2) is bonded to one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form distorted RuO6 octahedra that share corners with two equivalent Ru(1)O6 octahedra, corners with two equivalent Ru(2)O6 octahedra, corners with two equivalent Ru(3)O6 octahedra, edges with two equivalent Yb(1)O8 hexagonal bipyramids, edges with two equivalent Yb(2)O8 hexagonal bipyramids, edges with two equivalent Yb(3)O8 hexagonal bipyramids, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-48°. In the third Ru site, Ru(3) is bonded to one O(10), one O(5), two equivalent O(3), and two equivalent O(8) atoms to form distorted RuO6 octahedra that share corners with two equivalent Ru(1)O6 octahedra, corners with four equivalent Ru(2)O6 octahedra, edges with two equivalent Yb(1)O8 hexagonal bipyramids, edges with four equivalent Yb(2)O8 hexagonal bipyramids, and  a faceface with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-48°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Yb(1), one Yb(3), and two equivalent Yb(2) atoms to form OYb4 tetrahedra that share corners with two equivalent O(10)Yb2Ru2 tetrahedra, corners with two equivalent O(9)Yb2Ru2 tetrahedra, corners with four equivalent O(4)Yb2Ru2 tetrahedra, corners with four equivalent O(8)Yb2Ru2 tetrahedra, and corners with four equivalent O(2)Yb4 tetrahedra. In the second O site, O(2) is bonded to one Yb(1), one Yb(3), and two equivalent Yb(2) atoms to form OYb4 tetrahedra that share corners with four equivalent O(1)Yb4 tetrahedra,  an edgeedge with one O(10)Yb2Ru2 tetrahedra,  an edgeedge with one O(9)Yb2Ru2 tetrahedra, edges with two equivalent O(4)Yb2Ru2 tetrahedra, and edges with two equivalent O(8)Yb2Ru2 tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Yb(1), one Yb(2), one Ru(2), and one Ru(3) atom. In the fourth O site, O(4) is bonded to one Yb(2), one Yb(3), one Ru(1), and one Ru(2) atom to form distorted OYb2Ru2 tetrahedra that share corners with two equivalent O(10)Yb2Ru2 tetrahedra, corners with two equivalent O(4)Yb2Ru2 tetrahedra, corners with two equivalent O(8)Yb2Ru2 tetrahedra, corners with two equivalent O(9)Yb2Ru2 tetrahedra, corners with two equivalent O(1)Yb4 tetrahedra, and  an edgeedge with one O(2)Yb4 tetrahedra. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Yb(2), one Ru(1), and one Ru(3) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Yb(2), one Yb(3), one Ru(1), and one Ru(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(1), one Yb(1), one Yb(3), and two equivalent Ru(2) atoms. In the eighth O site, O(8) is bonded to one Yb(1), one Yb(2), one Ru(2), and one Ru(3) atom to form distorted OYb2Ru2 tetrahedra that share corners with two equivalent O(10)Yb2Ru2 tetrahedra, corners with two equivalent O(4)Yb2Ru2 tetrahedra, corners with two equivalent O(8)Yb2Ru2 tetrahedra, corners with two equivalent O(9)Yb2Ru2 tetrahedra, corners with two equivalent O(1)Yb4 tetrahedra, and  an edgeedge with one O(2)Yb4 tetrahedra. In the ninth O site, O(9) is bonded to one Yb(1), one Yb(3), and two equivalent Ru(2) atoms to form distorted OYb2Ru2 tetrahedra that share corners with two equivalent O(1)Yb4 tetrahedra, corners with four equivalent O(4)Yb2Ru2 tetrahedra, corners with four equivalent O(8)Yb2Ru2 tetrahedra, and  an edgeedge with one O(2)Yb4 tetrahedra. In the tenth O site, O(10) is bonded to two equivalent Yb(2), one Ru(1), and one Ru(3) atom to form distorted OYb2Ru2 tetrahedra that share corners with two equivalent O(1)Yb4 tetrahedra, corners with four equivalent O(4)Yb2Ru2 tetrahedra, corners with four equivalent O(8)Yb2Ru2 tetrahedra, and  an edgeedge with one O(2)Yb4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiYb4(Ru2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.288
_cell_length_b   7.296
_cell_length_c   7.287
_cell_angle_alpha   59.946
_cell_angle_beta   60.006
_cell_angle_gamma   59.949
_symmetry_Int_Tables_number   1
_cell_volume   273.783
_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  0.124  0.126  0.124  1.0
  Yb  Yb1  1  0.500  0.001  0.500  1.0
  Yb  Yb2  1  0.001  0.499  0.500  1.0
  Yb  Yb3  1  0.500  0.499  0.001  1.0
  Yb  Yb4  1  0.500  0.500  0.500  1.0
  Ru  Ru5  1  0.996  0.513  0.996  1.0
  Ru  Ru6  1  0.512  0.996  0.996  1.0
  Ru  Ru7  1  0.996  0.996  0.512  1.0
  Ru  Ru8  1  0.996  0.996  0.995  1.0
  O  O9  1  0.624  0.626  0.624  1.0
  O  O10  1  0.375  0.375  0.375  1.0
  O  O11  1  0.322  0.928  0.927  1.0
  O  O12  1  0.072  0.679  0.678  1.0
  O  O13  1  0.928  0.322  0.928  1.0
  O  O14  1  0.927  0.928  0.322  1.0
  O  O15  1  0.322  0.323  0.927  1.0
  O  O16  1  0.321  0.929  0.321  1.0
  O  O17  1  0.927  0.323  0.322  1.0
  O  O18  1  0.678  0.679  0.072  1.0
  O  O19  1  0.072  0.071  0.677  1.0
  O  O20  1  0.677  0.071  0.072  1.0
  O  O21  1  0.679  0.071  0.679  1.0
  O  O22  1  0.071  0.679  0.071  1.0
[/CIF]
.