The structure described by MgYb4(Ru2O7)2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 4-coordinate geometry to one O(1), one O(9), two equivalent O(3), and two equivalent O(4) atoms. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(7), one O(9), two equivalent O(3), and two equivalent O(8) atoms. In the second Yb site, Yb(2) is bonded in a 8-coordinate geometry 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. 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 edges with two equivalent Ru(1)O6 octahedra and edges with four equivalent Ru(2)O6 octahedra. 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 RuO6 octahedra that share corners with two equivalent Ru(3)O6 octahedra, corners with four equivalent Ru(2)O6 octahedra, and edges with two equivalent Yb(3)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 42-47°. 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 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, and edges with two equivalent Yb(3)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 42-47°. 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 corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 42-46°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Yb(1), one Yb(3), and two equivalent Yb(2) atoms to form distorted OYb4Mg trigonal bipyramids that share corners with four equivalent O(2)Yb4 tetrahedra,  an edgeedge with one O(7)Yb2Ru2 tetrahedra, and edges with two equivalent O(6)Yb2Ru2 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 two equivalent O(7)Yb2Ru2 tetrahedra, corners with four equivalent O(6)Yb2Ru2 tetrahedra, and corners with four equivalent O(1)Yb4Mg trigonal bipyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one Yb(1), one Yb(2), one Ru(2), and one Ru(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), one Yb(2), one Yb(3), one Ru(1), and one Ru(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Yb(2), one Ru(1), and one Ru(3) atom. In the sixth O site, O(6) 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(6)Yb2Ru2 tetrahedra, corners with two equivalent O(7)Yb2Ru2 tetrahedra, corners with two equivalent O(2)Yb4 tetrahedra, and  an edgeedge with one O(1)Yb4Mg trigonal bipyramid. In the seventh O site, O(7) 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(2)Yb4 tetrahedra, corners with four equivalent O(6)Yb2Ru2 tetrahedra, and  an edgeedge with one O(1)Yb4Mg trigonal bipyramid. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Yb(1), one Yb(2), one Ru(2), and one Ru(3) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Mg(1), one Yb(1), one Yb(3), and two equivalent Ru(2) atoms. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Yb(2), one Ru(1), and one Ru(3) atom. is represented by the CIF file [CIF]
data_Yb4Mg(Ru2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.299
_cell_length_b   7.300
_cell_length_c   7.301
_cell_angle_alpha   60.476
_cell_angle_beta   60.476
_cell_angle_gamma   60.480
_symmetry_Int_Tables_number   1
_cell_volume   278.025
_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
  Yb  Yb0  1  0.475  0.015  0.475  1.0
  Yb  Yb1  1  0.015  0.475  0.476  1.0
  Yb  Yb2  1  0.476  0.475  0.015  1.0
  Yb  Yb3  1  0.498  0.498  0.498  1.0
  Mg  Mg4  1  0.745  0.747  0.745  1.0
  Ru  Ru5  1  0.007  0.494  0.007  1.0
  Ru  Ru6  1  0.493  0.008  0.007  1.0
  Ru  Ru7  1  0.007  0.008  0.493  1.0
  Ru  Ru8  1  0.003  0.003  0.003  1.0
  O  O9  1  0.637  0.638  0.637  1.0
  O  O10  1  0.375  0.375  0.375  1.0
  O  O11  1  0.323  0.932  0.931  1.0
  O  O12  1  0.070  0.673  0.673  1.0
  O  O13  1  0.932  0.324  0.932  1.0
  O  O14  1  0.931  0.932  0.323  1.0
  O  O15  1  0.326  0.326  0.930  1.0
  O  O16  1  0.325  0.930  0.325  1.0
  O  O17  1  0.930  0.326  0.326  1.0
  O  O18  1  0.673  0.673  0.070  1.0
  O  O19  1  0.073  0.073  0.680  1.0
  O  O20  1  0.680  0.073  0.073  1.0
  O  O21  1  0.673  0.071  0.673  1.0
  O  O22  1  0.073  0.680  0.073  1.0
[/CIF]
.
The structure described by MgYb4(Ru2O7)2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 4-coordinate geometry to one O(1), one O(9), two equivalent O(3), and two equivalent O(4) atoms. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(7), one O(9), two equivalent O(3), and two equivalent O(8) atoms. In the second Yb site, Yb(2) is bonded in a 8-coordinate geometry 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. 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 edges with two equivalent Ru(1)O6 octahedra and edges with four equivalent Ru(2)O6 octahedra. 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 RuO6 octahedra that share corners with two equivalent Ru(3)O6 octahedra, corners with four equivalent Ru(2)O6 octahedra, and edges with two equivalent Yb(3)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 42-47°. 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 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, and edges with two equivalent Yb(3)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 42-47°. 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 corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 42-46°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Yb(1), one Yb(3), and two equivalent Yb(2) atoms to form distorted OYb4Mg trigonal bipyramids that share corners with four equivalent O(2)Yb4 tetrahedra,  an edgeedge with one O(7)Yb2Ru2 tetrahedra, and edges with two equivalent O(6)Yb2Ru2 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 two equivalent O(7)Yb2Ru2 tetrahedra, corners with four equivalent O(6)Yb2Ru2 tetrahedra, and corners with four equivalent O(1)Yb4Mg trigonal bipyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one Yb(1), one Yb(2), one Ru(2), and one Ru(3) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), one Yb(2), one Yb(3), one Ru(1), and one Ru(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Yb(2), one Ru(1), and one Ru(3) atom. In the sixth O site, O(6) 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(6)Yb2Ru2 tetrahedra, corners with two equivalent O(7)Yb2Ru2 tetrahedra, corners with two equivalent O(2)Yb4 tetrahedra, and  an edgeedge with one O(1)Yb4Mg trigonal bipyramid. In the seventh O site, O(7) 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(2)Yb4 tetrahedra, corners with four equivalent O(6)Yb2Ru2 tetrahedra, and  an edgeedge with one O(1)Yb4Mg trigonal bipyramid. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Yb(1), one Yb(2), one Ru(2), and one Ru(3) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Mg(1), one Yb(1), one Yb(3), and two equivalent Ru(2) atoms. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Yb(2), one Ru(1), and one Ru(3) atom. is represented by the CIF file [CIF]
data_Yb4Mg(Ru2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.299
_cell_length_b   7.300
_cell_length_c   7.301
_cell_angle_alpha   60.476
_cell_angle_beta   60.476
_cell_angle_gamma   60.480
_symmetry_Int_Tables_number   1
_cell_volume   278.025
_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
  Yb  Yb0  1  0.475  0.015  0.475  1.0
  Yb  Yb1  1  0.015  0.475  0.476  1.0
  Yb  Yb2  1  0.476  0.475  0.015  1.0
  Yb  Yb3  1  0.498  0.498  0.498  1.0
  Mg  Mg4  1  0.745  0.747  0.745  1.0
  Ru  Ru5  1  0.007  0.494  0.007  1.0
  Ru  Ru6  1  0.493  0.008  0.007  1.0
  Ru  Ru7  1  0.007  0.008  0.493  1.0
  Ru  Ru8  1  0.003  0.003  0.003  1.0
  O  O9  1  0.637  0.638  0.637  1.0
  O  O10  1  0.375  0.375  0.375  1.0
  O  O11  1  0.323  0.932  0.931  1.0
  O  O12  1  0.070  0.673  0.673  1.0
  O  O13  1  0.932  0.324  0.932  1.0
  O  O14  1  0.931  0.932  0.323  1.0
  O  O15  1  0.326  0.326  0.930  1.0
  O  O16  1  0.325  0.930  0.325  1.0
  O  O17  1  0.930  0.326  0.326  1.0
  O  O18  1  0.673  0.673  0.070  1.0
  O  O19  1  0.073  0.073  0.680  1.0
  O  O20  1  0.680  0.073  0.073  1.0
  O  O21  1  0.673  0.071  0.673  1.0
  O  O22  1  0.073  0.680  0.073  1.0
[/CIF]
.