The material described by CaYb4(Ru2O7)2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(13), one O(3), one O(4), one O(5), and one O(6) atom. There are four inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(3), one O(6), and one O(8) atom. In the second Yb site, Yb(2) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(14), one O(2), one O(5), one O(6), and one O(9) atom. In the third Yb site, Yb(3) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(14), one O(2), one O(3), one O(5), and one O(7) atom. In the fourth Yb site, Yb(4) is bonded to one O(1), one O(10), one O(13), one O(2), one O(4), one O(7), one O(8), and one O(9) atom to form distorted YbO8 hexagonal bipyramids that share 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. There are four inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(10), one O(14), one O(4), one O(5), one O(7), and one O(9) atom to form RuO6 octahedra that share corners with two equivalent Ru(2)O6 octahedra, corners with two equivalent Ru(3)O6 octahedra, corners with two equivalent Ru(4)O6 octahedra, and edges with two equivalent Yb(4)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 41-51°. In the second Ru site, Ru(2) is bonded to one O(10), one O(12), one O(13), one O(3), one O(7), and one O(8) atom to form RuO6 octahedra that share corners with two equivalent Ru(1)O6 octahedra, corners with two equivalent Ru(3)O6 octahedra, corners with two equivalent Ru(4)O6 octahedra, and edges with two equivalent Yb(4)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 41-50°. In the third Ru site, Ru(3) is bonded to one O(11), one O(13), one O(4), one O(6), 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(4)O6 octahedra, and edges with two equivalent Yb(4)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 41-49°. In the fourth Ru site, Ru(4) is bonded to one O(11), one O(12), one O(14), one O(3), one O(5), and one O(6) atom to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 42-51°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Yb(1), one Yb(2), one Yb(3), and one Yb(4) atom to form distorted OCaYb4 trigonal bipyramids that share corners with four equivalent O(2)Yb4 tetrahedra,  an edgeedge with one O(7)Yb2Ru2 trigonal pyramid,  an edgeedge with one O(8)Yb2Ru2 trigonal pyramid, and  an edgeedge with one O(9)Yb2Ru2 trigonal pyramid. In the second O site, O(2) is bonded to one Yb(1), one Yb(2), one Yb(3), and one Yb(4) atom to form OYb4 tetrahedra that share corners with four equivalent O(1)CaYb4 trigonal bipyramids, corners with two equivalent O(7)Yb2Ru2 trigonal pyramids, corners with two equivalent O(8)Yb2Ru2 trigonal pyramids, and corners with two equivalent O(9)Yb2Ru2 trigonal pyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(1), one Yb(1), one Yb(3), one Ru(2), and one Ru(4) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ca(1), one Yb(4), one Ru(1), and one Ru(3) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), one Yb(2), one Yb(3), one Ru(1), and one Ru(4) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ca(1), one Yb(1), one Yb(2), one Ru(3), and one Ru(4) atom. In the seventh O site, O(7) is bonded to one Yb(3), one Yb(4), one Ru(1), and one Ru(2) atom to form distorted OYb2Ru2 trigonal pyramids that share corners with two equivalent O(2)Yb4 tetrahedra, corners with two equivalent O(8)Yb2Ru2 trigonal pyramids, corners with two equivalent O(9)Yb2Ru2 trigonal pyramids, and  an edgeedge with one O(1)CaYb4 trigonal bipyramid. In the eighth O site, O(8) is bonded to one Yb(1), one Yb(4), one Ru(2), and one Ru(3) atom to form distorted OYb2Ru2 trigonal pyramids that share corners with two equivalent O(2)Yb4 tetrahedra, corners with two equivalent O(7)Yb2Ru2 trigonal pyramids, corners with two equivalent O(9)Yb2Ru2 trigonal pyramids, and  an edgeedge with one O(1)CaYb4 trigonal bipyramid. In the ninth O site, O(9) is bonded to one Yb(2), one Yb(4), one Ru(1), and one Ru(3) atom to form distorted OYb2Ru2 trigonal pyramids that share corners with two equivalent O(2)Yb4 tetrahedra, corners with two equivalent O(7)Yb2Ru2 trigonal pyramids, corners with two equivalent O(8)Yb2Ru2 trigonal pyramids, and  an edgeedge with one O(1)CaYb4 trigonal bipyramid. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ca(1), one Yb(4), one Ru(1), and one Ru(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Yb(1), one Yb(2), one Ru(3), and one Ru(4) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Yb(1), one Yb(3), one Ru(2), and one Ru(4) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Ca(1), one Yb(4), one Ru(2), and one Ru(3) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Yb(2), one Yb(3), one Ru(1), and one Ru(4) atom. is represented by the CIF card [CIF]
data_CaYb4(Ru2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.434
_cell_length_b   7.441
_cell_length_c   7.431
_cell_angle_alpha   58.846
_cell_angle_beta   58.900
_cell_angle_gamma   58.833
_symmetry_Int_Tables_number   1
_cell_volume   283.086
_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
  Ca  Ca0  1  0.737  0.739  0.737  1.0
  Yb  Yb1  1  0.465  0.007  0.467  1.0
  Yb  Yb2  1  0.007  0.466  0.468  1.0
  Yb  Yb3  1  0.467  0.466  0.007  1.0
  Yb  Yb4  1  0.493  0.493  0.492  1.0
  Ru  Ru5  1  0.009  0.504  0.009  1.0
  Ru  Ru6  1  0.503  0.009  0.008  1.0
  Ru  Ru7  1  0.009  0.009  0.503  1.0
  Ru  Ru8  1  0.006  0.010  0.006  1.0
  O  O9  1  0.620  0.620  0.620  1.0
  O  O10  1  0.370  0.369  0.370  1.0
  O  O11  1  0.338  0.928  0.925  1.0
  O  O12  1  0.088  0.684  0.685  1.0
  O  O13  1  0.923  0.342  0.922  1.0
  O  O14  1  0.926  0.928  0.337  1.0
  O  O15  1  0.320  0.320  0.930  1.0
  O  O16  1  0.320  0.932  0.320  1.0
  O  O17  1  0.930  0.321  0.320  1.0
  O  O18  1  0.685  0.684  0.088  1.0
  O  O19  1  0.078  0.075  0.682  1.0
  O  O20  1  0.682  0.075  0.079  1.0
  O  O21  1  0.685  0.089  0.685  1.0
  O  O22  1  0.080  0.679  0.080  1.0
[/CIF]
.
The material described by CaYb4(Ru2O7)2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(13), one O(3), one O(4), one O(5), and one O(6) atom. There are four inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(3), one O(6), and one O(8) atom. In the second Yb site, Yb(2) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(14), one O(2), one O(5), one O(6), and one O(9) atom. In the third Yb site, Yb(3) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(14), one O(2), one O(3), one O(5), and one O(7) atom. In the fourth Yb site, Yb(4) is bonded to one O(1), one O(10), one O(13), one O(2), one O(4), one O(7), one O(8), and one O(9) atom to form distorted YbO8 hexagonal bipyramids that share 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. There are four inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(10), one O(14), one O(4), one O(5), one O(7), and one O(9) atom to form RuO6 octahedra that share corners with two equivalent Ru(2)O6 octahedra, corners with two equivalent Ru(3)O6 octahedra, corners with two equivalent Ru(4)O6 octahedra, and edges with two equivalent Yb(4)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 41-51°. In the second Ru site, Ru(2) is bonded to one O(10), one O(12), one O(13), one O(3), one O(7), and one O(8) atom to form RuO6 octahedra that share corners with two equivalent Ru(1)O6 octahedra, corners with two equivalent Ru(3)O6 octahedra, corners with two equivalent Ru(4)O6 octahedra, and edges with two equivalent Yb(4)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 41-50°. In the third Ru site, Ru(3) is bonded to one O(11), one O(13), one O(4), one O(6), 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(4)O6 octahedra, and edges with two equivalent Yb(4)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 41-49°. In the fourth Ru site, Ru(4) is bonded to one O(11), one O(12), one O(14), one O(3), one O(5), and one O(6) atom to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 42-51°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Yb(1), one Yb(2), one Yb(3), and one Yb(4) atom to form distorted OCaYb4 trigonal bipyramids that share corners with four equivalent O(2)Yb4 tetrahedra,  an edgeedge with one O(7)Yb2Ru2 trigonal pyramid,  an edgeedge with one O(8)Yb2Ru2 trigonal pyramid, and  an edgeedge with one O(9)Yb2Ru2 trigonal pyramid. In the second O site, O(2) is bonded to one Yb(1), one Yb(2), one Yb(3), and one Yb(4) atom to form OYb4 tetrahedra that share corners with four equivalent O(1)CaYb4 trigonal bipyramids, corners with two equivalent O(7)Yb2Ru2 trigonal pyramids, corners with two equivalent O(8)Yb2Ru2 trigonal pyramids, and corners with two equivalent O(9)Yb2Ru2 trigonal pyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(1), one Yb(1), one Yb(3), one Ru(2), and one Ru(4) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ca(1), one Yb(4), one Ru(1), and one Ru(3) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), one Yb(2), one Yb(3), one Ru(1), and one Ru(4) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ca(1), one Yb(1), one Yb(2), one Ru(3), and one Ru(4) atom. In the seventh O site, O(7) is bonded to one Yb(3), one Yb(4), one Ru(1), and one Ru(2) atom to form distorted OYb2Ru2 trigonal pyramids that share corners with two equivalent O(2)Yb4 tetrahedra, corners with two equivalent O(8)Yb2Ru2 trigonal pyramids, corners with two equivalent O(9)Yb2Ru2 trigonal pyramids, and  an edgeedge with one O(1)CaYb4 trigonal bipyramid. In the eighth O site, O(8) is bonded to one Yb(1), one Yb(4), one Ru(2), and one Ru(3) atom to form distorted OYb2Ru2 trigonal pyramids that share corners with two equivalent O(2)Yb4 tetrahedra, corners with two equivalent O(7)Yb2Ru2 trigonal pyramids, corners with two equivalent O(9)Yb2Ru2 trigonal pyramids, and  an edgeedge with one O(1)CaYb4 trigonal bipyramid. In the ninth O site, O(9) is bonded to one Yb(2), one Yb(4), one Ru(1), and one Ru(3) atom to form distorted OYb2Ru2 trigonal pyramids that share corners with two equivalent O(2)Yb4 tetrahedra, corners with two equivalent O(7)Yb2Ru2 trigonal pyramids, corners with two equivalent O(8)Yb2Ru2 trigonal pyramids, and  an edgeedge with one O(1)CaYb4 trigonal bipyramid. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ca(1), one Yb(4), one Ru(1), and one Ru(2) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Yb(1), one Yb(2), one Ru(3), and one Ru(4) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Yb(1), one Yb(3), one Ru(2), and one Ru(4) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Ca(1), one Yb(4), one Ru(2), and one Ru(3) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Yb(2), one Yb(3), one Ru(1), and one Ru(4) atom. is represented by the CIF card [CIF]
data_CaYb4(Ru2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.434
_cell_length_b   7.441
_cell_length_c   7.431
_cell_angle_alpha   58.846
_cell_angle_beta   58.900
_cell_angle_gamma   58.833
_symmetry_Int_Tables_number   1
_cell_volume   283.086
_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
  Ca  Ca0  1  0.737  0.739  0.737  1.0
  Yb  Yb1  1  0.465  0.007  0.467  1.0
  Yb  Yb2  1  0.007  0.466  0.468  1.0
  Yb  Yb3  1  0.467  0.466  0.007  1.0
  Yb  Yb4  1  0.493  0.493  0.492  1.0
  Ru  Ru5  1  0.009  0.504  0.009  1.0
  Ru  Ru6  1  0.503  0.009  0.008  1.0
  Ru  Ru7  1  0.009  0.009  0.503  1.0
  Ru  Ru8  1  0.006  0.010  0.006  1.0
  O  O9  1  0.620  0.620  0.620  1.0
  O  O10  1  0.370  0.369  0.370  1.0
  O  O11  1  0.338  0.928  0.925  1.0
  O  O12  1  0.088  0.684  0.685  1.0
  O  O13  1  0.923  0.342  0.922  1.0
  O  O14  1  0.926  0.928  0.337  1.0
  O  O15  1  0.320  0.320  0.930  1.0
  O  O16  1  0.320  0.932  0.320  1.0
  O  O17  1  0.930  0.321  0.320  1.0
  O  O18  1  0.685  0.684  0.088  1.0
  O  O19  1  0.078  0.075  0.682  1.0
  O  O20  1  0.682  0.075  0.079  1.0
  O  O21  1  0.685  0.089  0.685  1.0
  O  O22  1  0.080  0.679  0.080  1.0
[/CIF]
.