The crystal structure described by Zr3Yb4O12 crystallizes in the triclinic P-1 space group. There are four inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one O(1), one O(2), one O(3), one O(8), one O(9), and two equivalent O(4) atoms to form distorted YbO7 pentagonal bipyramids that share  a cornercorner with one Zr(1)O6 octahedra,  an edgeedge with one Zr(1)O6 octahedra,  an edgeedge with one Yb(1)O7 pentagonal bipyramid,  an edgeedge with one Yb(3)O7 pentagonal bipyramid, and  an edgeedge with one Zr(2)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 55°. In the second Yb site, Yb(2) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(12), one O(4), one O(6), one O(8), and one O(9) atom. In the third Yb site, Yb(3) is bonded to one O(10), one O(11), one O(12), one O(3), one O(6), one O(7), and one O(9) atom to form distorted YbO7 pentagonal bipyramids that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Zr(2)O7 pentagonal bipyramid,  an edgeedge with one Zr(1)O6 octahedra,  an edgeedge with one Yb(1)O7 pentagonal bipyramid, and edges with two equivalent Zr(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 54°. In the fourth Yb site, Yb(4) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(7), two equivalent O(11), and two equivalent O(5) atoms. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(5), and one O(6) atom to form ZrO6 octahedra that share  a cornercorner with one Yb(1)O7 pentagonal bipyramid,  a cornercorner with one Yb(3)O7 pentagonal bipyramid,  a cornercorner with one Zr(2)O7 pentagonal bipyramid,  an edgeedge with one Yb(1)O7 pentagonal bipyramid,  an edgeedge with one Yb(3)O7 pentagonal bipyramid, and  an edgeedge with one Zr(2)O7 pentagonal bipyramid. In the second Zr site, Zr(2) is bonded to one O(1), one O(11), one O(12), one O(3), one O(5), and two equivalent O(7) atoms to form distorted ZrO7 pentagonal bipyramids that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Yb(3)O7 pentagonal bipyramid,  an edgeedge with one Zr(1)O6 octahedra,  an edgeedge with one Yb(1)O7 pentagonal bipyramid,  an edgeedge with one Zr(2)O7 pentagonal bipyramid, and edges with two equivalent Yb(3)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 39°. In the third Zr site, Zr(3) is bonded in a 7-coordinate geometry to one O(4), one O(6), one O(9), two equivalent O(2), and two equivalent O(8) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Yb(1), one Yb(2), one Zr(1), and one Zr(2) atom to form OYb2Zr2 tetrahedra that share  a cornercorner with one O(11)Yb3Zr tetrahedra,  a cornercorner with one O(4)Yb3Zr tetrahedra, corners with two equivalent O(7)Yb2Zr2 tetrahedra, corners with two equivalent O(8)Yb2Zr2 tetrahedra, corners with two equivalent O(10)Yb3Zr tetrahedra, corners with two equivalent O(9)Yb3Zr tetrahedra, corners with two equivalent O(2)YbZr3 tetrahedra,  an edgeedge with one O(5)Yb2Zr2 tetrahedra,  an edgeedge with one O(6)Yb2Zr2 tetrahedra,  an edgeedge with one O(4)Yb3Zr tetrahedra, and  an edgeedge with one O(12)Yb3Zr trigonal pyramid. In the second O site, O(2) is bonded to one Yb(1), one Zr(1), and two equivalent Zr(3) atoms to form distorted OYbZr3 tetrahedra that share  a cornercorner with one O(5)Yb2Zr2 tetrahedra,  a cornercorner with one O(6)Yb2Zr2 tetrahedra,  a cornercorner with one O(10)Yb3Zr tetrahedra, corners with two equivalent O(1)Yb2Zr2 tetrahedra, corners with two equivalent O(4)Yb3Zr tetrahedra, corners with three equivalent O(8)Yb2Zr2 tetrahedra, corners with three equivalent O(9)Yb3Zr tetrahedra,  an edgeedge with one O(6)Yb2Zr2 tetrahedra,  an edgeedge with one O(8)Yb2Zr2 tetrahedra,  an edgeedge with one O(4)Yb3Zr tetrahedra, and  an edgeedge with one O(2)YbZr3 tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Yb(1), one Yb(3), one Zr(1), and one Zr(2) atom. In the fourth O site, O(4) is bonded to one Yb(2), two equivalent Yb(1), and one Zr(3) atom to form distorted OYb3Zr tetrahedra that share  a cornercorner with one O(1)Yb2Zr2 tetrahedra,  a cornercorner with one O(10)Yb3Zr tetrahedra, corners with two equivalent O(6)Yb2Zr2 tetrahedra, corners with two equivalent O(9)Yb3Zr tetrahedra, corners with two equivalent O(2)YbZr3 tetrahedra, corners with three equivalent O(8)Yb2Zr2 tetrahedra,  a cornercorner with one O(12)Yb3Zr trigonal pyramid,  an edgeedge with one O(1)Yb2Zr2 tetrahedra,  an edgeedge with one O(8)Yb2Zr2 tetrahedra,  an edgeedge with one O(4)Yb3Zr tetrahedra,  an edgeedge with one O(9)Yb3Zr tetrahedra, and  an edgeedge with one O(2)YbZr3 tetrahedra. In the fifth O site, O(5) is bonded to two equivalent Yb(4), one Zr(1), and one Zr(2) atom to form OYb2Zr2 tetrahedra that share  a cornercorner with one O(6)Yb2Zr2 tetrahedra,  a cornercorner with one O(10)Yb3Zr tetrahedra,  a cornercorner with one O(2)YbZr3 tetrahedra, corners with two equivalent O(7)Yb2Zr2 tetrahedra, corners with three equivalent O(11)Yb3Zr tetrahedra, corners with three equivalent O(12)Yb3Zr trigonal pyramids,  an edgeedge with one O(1)Yb2Zr2 tetrahedra,  an edgeedge with one O(5)Yb2Zr2 tetrahedra,  an edgeedge with one O(7)Yb2Zr2 tetrahedra,  an edgeedge with one O(10)Yb3Zr tetrahedra, and  an edgeedge with one O(11)Yb3Zr tetrahedra. In the sixth O site, O(6) is bonded to one Yb(2), one Yb(3), one Zr(1), and one Zr(3) atom to form OYb2Zr2 tetrahedra that share  a cornercorner with one O(5)Yb2Zr2 tetrahedra,  a cornercorner with one O(7)Yb2Zr2 tetrahedra,  a cornercorner with one O(8)Yb2Zr2 tetrahedra,  a cornercorner with one O(10)Yb3Zr tetrahedra,  a cornercorner with one O(11)Yb3Zr tetrahedra,  a cornercorner with one O(9)Yb3Zr tetrahedra,  a cornercorner with one O(2)YbZr3 tetrahedra, corners with two equivalent O(4)Yb3Zr tetrahedra, corners with two equivalent O(12)Yb3Zr trigonal pyramids,  an edgeedge with one O(1)Yb2Zr2 tetrahedra,  an edgeedge with one O(8)Yb2Zr2 tetrahedra,  an edgeedge with one O(10)Yb3Zr tetrahedra,  an edgeedge with one O(9)Yb3Zr tetrahedra, and  an edgeedge with one O(2)YbZr3 tetrahedra. In the seventh O site, O(7) is bonded to one Yb(3), one Yb(4), and two equivalent Zr(2) atoms to form distorted OYb2Zr2 tetrahedra that share  a cornercorner with one O(6)Yb2Zr2 tetrahedra,  a cornercorner with one O(9)Yb3Zr tetrahedra, corners with two equivalent O(1)Yb2Zr2 tetrahedra, corners with two equivalent O(5)Yb2Zr2 tetrahedra, corners with two equivalent O(10)Yb3Zr tetrahedra, corners with three equivalent O(11)Yb3Zr tetrahedra, corners with two equivalent O(12)Yb3Zr trigonal pyramids,  an edgeedge with one O(5)Yb2Zr2 tetrahedra,  an edgeedge with one O(7)Yb2Zr2 tetrahedra,  an edgeedge with one O(11)Yb3Zr tetrahedra, and  an edgeedge with one O(12)Yb3Zr trigonal pyramid. In the eighth O site, O(8) is bonded to one Yb(1), one Yb(2), and two equivalent Zr(3) atoms to form distorted OYb2Zr2 tetrahedra that share  a cornercorner with one O(6)Yb2Zr2 tetrahedra,  a cornercorner with one O(10)Yb3Zr tetrahedra, corners with two equivalent O(1)Yb2Zr2 tetrahedra, corners with two equivalent O(9)Yb3Zr tetrahedra, corners with three equivalent O(4)Yb3Zr tetrahedra, corners with three equivalent O(2)YbZr3 tetrahedra,  a cornercorner with one O(12)Yb3Zr trigonal pyramid,  an edgeedge with one O(6)Yb2Zr2 tetrahedra,  an edgeedge with one O(8)Yb2Zr2 tetrahedra,  an edgeedge with one O(4)Yb3Zr tetrahedra,  an edgeedge with one O(9)Yb3Zr tetrahedra, and  an edgeedge with one O(2)YbZr3 tetrahedra. In the ninth O site, O(9) is bonded to one Yb(1), one Yb(2), one Yb(3), and one Zr(3) atom to form OYb3Zr tetrahedra that share  a cornercorner with one O(6)Yb2Zr2 tetrahedra,  a cornercorner with one O(7)Yb2Zr2 tetrahedra,  a cornercorner with one O(11)Yb3Zr tetrahedra, corners with two equivalent O(1)Yb2Zr2 tetrahedra, corners with two equivalent O(8)Yb2Zr2 tetrahedra, corners with two equivalent O(10)Yb3Zr tetrahedra, corners with two equivalent O(4)Yb3Zr tetrahedra, corners with three equivalent O(2)YbZr3 tetrahedra,  an edgeedge with one O(6)Yb2Zr2 tetrahedra,  an edgeedge with one O(8)Yb2Zr2 tetrahedra,  an edgeedge with one O(4)Yb3Zr tetrahedra, and  an edgeedge with one O(12)Yb3Zr trigonal pyramid. In the tenth O site, O(10) is bonded to one Yb(2), one Yb(3), one Yb(4), and one Zr(1) atom to form OYb3Zr tetrahedra that share  a cornercorner with one O(5)Yb2Zr2 tetrahedra,  a cornercorner with one O(6)Yb2Zr2 tetrahedra,  a cornercorner with one O(8)Yb2Zr2 tetrahedra,  a cornercorner with one O(11)Yb3Zr tetrahedra,  a cornercorner with one O(4)Yb3Zr tetrahedra,  a cornercorner with one O(2)YbZr3 tetrahedra, corners with two equivalent O(1)Yb2Zr2 tetrahedra, corners with two equivalent O(7)Yb2Zr2 tetrahedra, corners with two equivalent O(9)Yb3Zr tetrahedra,  a cornercorner with one O(12)Yb3Zr trigonal pyramid,  an edgeedge with one O(5)Yb2Zr2 tetrahedra,  an edgeedge with one O(6)Yb2Zr2 tetrahedra,  an edgeedge with one O(11)Yb3Zr tetrahedra, and  an edgeedge with one O(12)Yb3Zr trigonal pyramid. In the eleventh O site, O(11) is bonded to one Yb(3), two equivalent Yb(4), and one Zr(2) atom to form OYb3Zr tetrahedra that share  a cornercorner with one O(1)Yb2Zr2 tetrahedra,  a cornercorner with one O(6)Yb2Zr2 tetrahedra,  a cornercorner with one O(10)Yb3Zr tetrahedra,  a cornercorner with one O(9)Yb3Zr tetrahedra, corners with three equivalent O(5)Yb2Zr2 tetrahedra, corners with three equivalent O(7)Yb2Zr2 tetrahedra, corners with two equivalent O(12)Yb3Zr trigonal pyramids,  an edgeedge with one O(5)Yb2Zr2 tetrahedra,  an edgeedge with one O(7)Yb2Zr2 tetrahedra,  an edgeedge with one O(10)Yb3Zr tetrahedra,  an edgeedge with one O(11)Yb3Zr tetrahedra, and  an edgeedge with one O(12)Yb3Zr trigonal pyramid. In the twelfth O site, O(12) is bonded to one Yb(2), one Yb(3), one Yb(4), and one Zr(2) atom to form distorted OYb3Zr trigonal pyramids that share  a cornercorner with one O(8)Yb2Zr2 tetrahedra,  a cornercorner with one O(10)Yb3Zr tetrahedra,  a cornercorner with one O(4)Yb3Zr tetrahedra, corners with two equivalent O(6)Yb2Zr2 tetrahedra, corners with two equivalent O(7)Yb2Zr2 tetrahedra, corners with two equivalent O(11)Yb3Zr tetrahedra, corners with three equivalent O(5)Yb2Zr2 tetrahedra,  an edgeedge with one O(1)Yb2Zr2 tetrahedra,  an edgeedge with one O(7)Yb2Zr2 tetrahedra,  an edgeedge with one O(10)Yb3Zr tetrahedra,  an edgeedge with one O(11)Yb3Zr tetrahedra, and  an edgeedge with one O(9)Yb3Zr tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb4Zr3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.390
_cell_length_b   6.477
_cell_length_c   12.876
_cell_angle_alpha   99.161
_cell_angle_beta   98.543
_cell_angle_gamma   100.298
_symmetry_Int_Tables_number   1
_cell_volume   508.946
_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  0.391  0.859  0.100  1.0
  Yb  Yb1  1  0.295  0.605  0.818  1.0
  Yb  Yb2  1  0.288  0.607  0.318  1.0
  Yb  Yb3  1  0.861  0.715  0.447  1.0
  Yb  Yb4  1  0.705  0.395  0.182  1.0
  Yb  Yb5  1  0.139  0.285  0.553  1.0
  Yb  Yb6  1  0.609  0.141  0.900  1.0
  Yb  Yb7  1  0.712  0.393  0.682  1.0
  Zr  Zr8  1  0.997  0.989  0.250  1.0
  Zr  Zr9  1  0.378  0.860  0.607  1.0
  Zr  Zr10  1  0.003  0.011  0.750  1.0
  Zr  Zr11  1  0.856  0.709  0.942  1.0
  Zr  Zr12  1  0.144  0.291  0.058  1.0
  Zr  Zr13  1  0.622  0.140  0.393  1.0
  O  O14  1  0.322  0.943  0.774  1.0
  O  O15  1  0.036  0.921  0.087  1.0
  O  O16  1  0.323  0.968  0.290  1.0
  O  O17  1  0.577  0.813  0.960  1.0
  O  O18  1  0.070  0.930  0.594  1.0
  O  O19  1  0.939  0.697  0.791  1.0
  O  O20  1  0.553  0.848  0.470  1.0
  O  O21  1  0.156  0.559  0.973  1.0
  O  O22  1  0.399  0.541  0.157  1.0
  O  O23  1  0.941  0.687  0.278  1.0
  O  O24  1  0.190  0.596  0.482  1.0
  O  O25  1  0.601  0.459  0.843  1.0
  O  O26  1  0.421  0.573  0.651  1.0
  O  O27  1  0.844  0.441  0.027  1.0
  O  O28  1  0.061  0.303  0.209  1.0
  O  O29  1  0.579  0.427  0.349  1.0
  O  O30  1  0.810  0.404  0.518  1.0
  O  O31  1  0.423  0.187  0.040  1.0
  O  O32  1  0.059  0.313  0.722  1.0
  O  O33  1  0.964  0.079  0.913  1.0
  O  O34  1  0.447  0.152  0.530  1.0
  O  O35  1  0.678  0.057  0.226  1.0
  O  O36  1  0.930  0.070  0.406  1.0
  O  O37  1  0.677  0.032  0.710  1.0
[/CIF]
.
The crystal structure described by Zr3Yb4O12 crystallizes in the triclinic P-1 space group. There are four inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one O(1), one O(2), one O(3), one O(8), one O(9), and two equivalent O(4) atoms to form distorted YbO7 pentagonal bipyramids that share  a cornercorner with one Zr(1)O6 octahedra,  an edgeedge with one Zr(1)O6 octahedra,  an edgeedge with one Yb(1)O7 pentagonal bipyramid,  an edgeedge with one Yb(3)O7 pentagonal bipyramid, and  an edgeedge with one Zr(2)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 55°. In the second Yb site, Yb(2) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(12), one O(4), one O(6), one O(8), and one O(9) atom. In the third Yb site, Yb(3) is bonded to one O(10), one O(11), one O(12), one O(3), one O(6), one O(7), and one O(9) atom to form distorted YbO7 pentagonal bipyramids that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Zr(2)O7 pentagonal bipyramid,  an edgeedge with one Zr(1)O6 octahedra,  an edgeedge with one Yb(1)O7 pentagonal bipyramid, and edges with two equivalent Zr(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 54°. In the fourth Yb site, Yb(4) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(7), two equivalent O(11), and two equivalent O(5) atoms. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(5), and one O(6) atom to form ZrO6 octahedra that share  a cornercorner with one Yb(1)O7 pentagonal bipyramid,  a cornercorner with one Yb(3)O7 pentagonal bipyramid,  a cornercorner with one Zr(2)O7 pentagonal bipyramid,  an edgeedge with one Yb(1)O7 pentagonal bipyramid,  an edgeedge with one Yb(3)O7 pentagonal bipyramid, and  an edgeedge with one Zr(2)O7 pentagonal bipyramid. In the second Zr site, Zr(2) is bonded to one O(1), one O(11), one O(12), one O(3), one O(5), and two equivalent O(7) atoms to form distorted ZrO7 pentagonal bipyramids that share  a cornercorner with one Zr(1)O6 octahedra,  a cornercorner with one Yb(3)O7 pentagonal bipyramid,  an edgeedge with one Zr(1)O6 octahedra,  an edgeedge with one Yb(1)O7 pentagonal bipyramid,  an edgeedge with one Zr(2)O7 pentagonal bipyramid, and edges with two equivalent Yb(3)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 39°. In the third Zr site, Zr(3) is bonded in a 7-coordinate geometry to one O(4), one O(6), one O(9), two equivalent O(2), and two equivalent O(8) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Yb(1), one Yb(2), one Zr(1), and one Zr(2) atom to form OYb2Zr2 tetrahedra that share  a cornercorner with one O(11)Yb3Zr tetrahedra,  a cornercorner with one O(4)Yb3Zr tetrahedra, corners with two equivalent O(7)Yb2Zr2 tetrahedra, corners with two equivalent O(8)Yb2Zr2 tetrahedra, corners with two equivalent O(10)Yb3Zr tetrahedra, corners with two equivalent O(9)Yb3Zr tetrahedra, corners with two equivalent O(2)YbZr3 tetrahedra,  an edgeedge with one O(5)Yb2Zr2 tetrahedra,  an edgeedge with one O(6)Yb2Zr2 tetrahedra,  an edgeedge with one O(4)Yb3Zr tetrahedra, and  an edgeedge with one O(12)Yb3Zr trigonal pyramid. In the second O site, O(2) is bonded to one Yb(1), one Zr(1), and two equivalent Zr(3) atoms to form distorted OYbZr3 tetrahedra that share  a cornercorner with one O(5)Yb2Zr2 tetrahedra,  a cornercorner with one O(6)Yb2Zr2 tetrahedra,  a cornercorner with one O(10)Yb3Zr tetrahedra, corners with two equivalent O(1)Yb2Zr2 tetrahedra, corners with two equivalent O(4)Yb3Zr tetrahedra, corners with three equivalent O(8)Yb2Zr2 tetrahedra, corners with three equivalent O(9)Yb3Zr tetrahedra,  an edgeedge with one O(6)Yb2Zr2 tetrahedra,  an edgeedge with one O(8)Yb2Zr2 tetrahedra,  an edgeedge with one O(4)Yb3Zr tetrahedra, and  an edgeedge with one O(2)YbZr3 tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Yb(1), one Yb(3), one Zr(1), and one Zr(2) atom. In the fourth O site, O(4) is bonded to one Yb(2), two equivalent Yb(1), and one Zr(3) atom to form distorted OYb3Zr tetrahedra that share  a cornercorner with one O(1)Yb2Zr2 tetrahedra,  a cornercorner with one O(10)Yb3Zr tetrahedra, corners with two equivalent O(6)Yb2Zr2 tetrahedra, corners with two equivalent O(9)Yb3Zr tetrahedra, corners with two equivalent O(2)YbZr3 tetrahedra, corners with three equivalent O(8)Yb2Zr2 tetrahedra,  a cornercorner with one O(12)Yb3Zr trigonal pyramid,  an edgeedge with one O(1)Yb2Zr2 tetrahedra,  an edgeedge with one O(8)Yb2Zr2 tetrahedra,  an edgeedge with one O(4)Yb3Zr tetrahedra,  an edgeedge with one O(9)Yb3Zr tetrahedra, and  an edgeedge with one O(2)YbZr3 tetrahedra. In the fifth O site, O(5) is bonded to two equivalent Yb(4), one Zr(1), and one Zr(2) atom to form OYb2Zr2 tetrahedra that share  a cornercorner with one O(6)Yb2Zr2 tetrahedra,  a cornercorner with one O(10)Yb3Zr tetrahedra,  a cornercorner with one O(2)YbZr3 tetrahedra, corners with two equivalent O(7)Yb2Zr2 tetrahedra, corners with three equivalent O(11)Yb3Zr tetrahedra, corners with three equivalent O(12)Yb3Zr trigonal pyramids,  an edgeedge with one O(1)Yb2Zr2 tetrahedra,  an edgeedge with one O(5)Yb2Zr2 tetrahedra,  an edgeedge with one O(7)Yb2Zr2 tetrahedra,  an edgeedge with one O(10)Yb3Zr tetrahedra, and  an edgeedge with one O(11)Yb3Zr tetrahedra. In the sixth O site, O(6) is bonded to one Yb(2), one Yb(3), one Zr(1), and one Zr(3) atom to form OYb2Zr2 tetrahedra that share  a cornercorner with one O(5)Yb2Zr2 tetrahedra,  a cornercorner with one O(7)Yb2Zr2 tetrahedra,  a cornercorner with one O(8)Yb2Zr2 tetrahedra,  a cornercorner with one O(10)Yb3Zr tetrahedra,  a cornercorner with one O(11)Yb3Zr tetrahedra,  a cornercorner with one O(9)Yb3Zr tetrahedra,  a cornercorner with one O(2)YbZr3 tetrahedra, corners with two equivalent O(4)Yb3Zr tetrahedra, corners with two equivalent O(12)Yb3Zr trigonal pyramids,  an edgeedge with one O(1)Yb2Zr2 tetrahedra,  an edgeedge with one O(8)Yb2Zr2 tetrahedra,  an edgeedge with one O(10)Yb3Zr tetrahedra,  an edgeedge with one O(9)Yb3Zr tetrahedra, and  an edgeedge with one O(2)YbZr3 tetrahedra. In the seventh O site, O(7) is bonded to one Yb(3), one Yb(4), and two equivalent Zr(2) atoms to form distorted OYb2Zr2 tetrahedra that share  a cornercorner with one O(6)Yb2Zr2 tetrahedra,  a cornercorner with one O(9)Yb3Zr tetrahedra, corners with two equivalent O(1)Yb2Zr2 tetrahedra, corners with two equivalent O(5)Yb2Zr2 tetrahedra, corners with two equivalent O(10)Yb3Zr tetrahedra, corners with three equivalent O(11)Yb3Zr tetrahedra, corners with two equivalent O(12)Yb3Zr trigonal pyramids,  an edgeedge with one O(5)Yb2Zr2 tetrahedra,  an edgeedge with one O(7)Yb2Zr2 tetrahedra,  an edgeedge with one O(11)Yb3Zr tetrahedra, and  an edgeedge with one O(12)Yb3Zr trigonal pyramid. In the eighth O site, O(8) is bonded to one Yb(1), one Yb(2), and two equivalent Zr(3) atoms to form distorted OYb2Zr2 tetrahedra that share  a cornercorner with one O(6)Yb2Zr2 tetrahedra,  a cornercorner with one O(10)Yb3Zr tetrahedra, corners with two equivalent O(1)Yb2Zr2 tetrahedra, corners with two equivalent O(9)Yb3Zr tetrahedra, corners with three equivalent O(4)Yb3Zr tetrahedra, corners with three equivalent O(2)YbZr3 tetrahedra,  a cornercorner with one O(12)Yb3Zr trigonal pyramid,  an edgeedge with one O(6)Yb2Zr2 tetrahedra,  an edgeedge with one O(8)Yb2Zr2 tetrahedra,  an edgeedge with one O(4)Yb3Zr tetrahedra,  an edgeedge with one O(9)Yb3Zr tetrahedra, and  an edgeedge with one O(2)YbZr3 tetrahedra. In the ninth O site, O(9) is bonded to one Yb(1), one Yb(2), one Yb(3), and one Zr(3) atom to form OYb3Zr tetrahedra that share  a cornercorner with one O(6)Yb2Zr2 tetrahedra,  a cornercorner with one O(7)Yb2Zr2 tetrahedra,  a cornercorner with one O(11)Yb3Zr tetrahedra, corners with two equivalent O(1)Yb2Zr2 tetrahedra, corners with two equivalent O(8)Yb2Zr2 tetrahedra, corners with two equivalent O(10)Yb3Zr tetrahedra, corners with two equivalent O(4)Yb3Zr tetrahedra, corners with three equivalent O(2)YbZr3 tetrahedra,  an edgeedge with one O(6)Yb2Zr2 tetrahedra,  an edgeedge with one O(8)Yb2Zr2 tetrahedra,  an edgeedge with one O(4)Yb3Zr tetrahedra, and  an edgeedge with one O(12)Yb3Zr trigonal pyramid. In the tenth O site, O(10) is bonded to one Yb(2), one Yb(3), one Yb(4), and one Zr(1) atom to form OYb3Zr tetrahedra that share  a cornercorner with one O(5)Yb2Zr2 tetrahedra,  a cornercorner with one O(6)Yb2Zr2 tetrahedra,  a cornercorner with one O(8)Yb2Zr2 tetrahedra,  a cornercorner with one O(11)Yb3Zr tetrahedra,  a cornercorner with one O(4)Yb3Zr tetrahedra,  a cornercorner with one O(2)YbZr3 tetrahedra, corners with two equivalent O(1)Yb2Zr2 tetrahedra, corners with two equivalent O(7)Yb2Zr2 tetrahedra, corners with two equivalent O(9)Yb3Zr tetrahedra,  a cornercorner with one O(12)Yb3Zr trigonal pyramid,  an edgeedge with one O(5)Yb2Zr2 tetrahedra,  an edgeedge with one O(6)Yb2Zr2 tetrahedra,  an edgeedge with one O(11)Yb3Zr tetrahedra, and  an edgeedge with one O(12)Yb3Zr trigonal pyramid. In the eleventh O site, O(11) is bonded to one Yb(3), two equivalent Yb(4), and one Zr(2) atom to form OYb3Zr tetrahedra that share  a cornercorner with one O(1)Yb2Zr2 tetrahedra,  a cornercorner with one O(6)Yb2Zr2 tetrahedra,  a cornercorner with one O(10)Yb3Zr tetrahedra,  a cornercorner with one O(9)Yb3Zr tetrahedra, corners with three equivalent O(5)Yb2Zr2 tetrahedra, corners with three equivalent O(7)Yb2Zr2 tetrahedra, corners with two equivalent O(12)Yb3Zr trigonal pyramids,  an edgeedge with one O(5)Yb2Zr2 tetrahedra,  an edgeedge with one O(7)Yb2Zr2 tetrahedra,  an edgeedge with one O(10)Yb3Zr tetrahedra,  an edgeedge with one O(11)Yb3Zr tetrahedra, and  an edgeedge with one O(12)Yb3Zr trigonal pyramid. In the twelfth O site, O(12) is bonded to one Yb(2), one Yb(3), one Yb(4), and one Zr(2) atom to form distorted OYb3Zr trigonal pyramids that share  a cornercorner with one O(8)Yb2Zr2 tetrahedra,  a cornercorner with one O(10)Yb3Zr tetrahedra,  a cornercorner with one O(4)Yb3Zr tetrahedra, corners with two equivalent O(6)Yb2Zr2 tetrahedra, corners with two equivalent O(7)Yb2Zr2 tetrahedra, corners with two equivalent O(11)Yb3Zr tetrahedra, corners with three equivalent O(5)Yb2Zr2 tetrahedra,  an edgeedge with one O(1)Yb2Zr2 tetrahedra,  an edgeedge with one O(7)Yb2Zr2 tetrahedra,  an edgeedge with one O(10)Yb3Zr tetrahedra,  an edgeedge with one O(11)Yb3Zr tetrahedra, and  an edgeedge with one O(9)Yb3Zr tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb4Zr3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.390
_cell_length_b   6.477
_cell_length_c   12.876
_cell_angle_alpha   99.161
_cell_angle_beta   98.543
_cell_angle_gamma   100.298
_symmetry_Int_Tables_number   1
_cell_volume   508.946
_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  0.391  0.859  0.100  1.0
  Yb  Yb1  1  0.295  0.605  0.818  1.0
  Yb  Yb2  1  0.288  0.607  0.318  1.0
  Yb  Yb3  1  0.861  0.715  0.447  1.0
  Yb  Yb4  1  0.705  0.395  0.182  1.0
  Yb  Yb5  1  0.139  0.285  0.553  1.0
  Yb  Yb6  1  0.609  0.141  0.900  1.0
  Yb  Yb7  1  0.712  0.393  0.682  1.0
  Zr  Zr8  1  0.997  0.989  0.250  1.0
  Zr  Zr9  1  0.378  0.860  0.607  1.0
  Zr  Zr10  1  0.003  0.011  0.750  1.0
  Zr  Zr11  1  0.856  0.709  0.942  1.0
  Zr  Zr12  1  0.144  0.291  0.058  1.0
  Zr  Zr13  1  0.622  0.140  0.393  1.0
  O  O14  1  0.322  0.943  0.774  1.0
  O  O15  1  0.036  0.921  0.087  1.0
  O  O16  1  0.323  0.968  0.290  1.0
  O  O17  1  0.577  0.813  0.960  1.0
  O  O18  1  0.070  0.930  0.594  1.0
  O  O19  1  0.939  0.697  0.791  1.0
  O  O20  1  0.553  0.848  0.470  1.0
  O  O21  1  0.156  0.559  0.973  1.0
  O  O22  1  0.399  0.541  0.157  1.0
  O  O23  1  0.941  0.687  0.278  1.0
  O  O24  1  0.190  0.596  0.482  1.0
  O  O25  1  0.601  0.459  0.843  1.0
  O  O26  1  0.421  0.573  0.651  1.0
  O  O27  1  0.844  0.441  0.027  1.0
  O  O28  1  0.061  0.303  0.209  1.0
  O  O29  1  0.579  0.427  0.349  1.0
  O  O30  1  0.810  0.404  0.518  1.0
  O  O31  1  0.423  0.187  0.040  1.0
  O  O32  1  0.059  0.313  0.722  1.0
  O  O33  1  0.964  0.079  0.913  1.0
  O  O34  1  0.447  0.152  0.530  1.0
  O  O35  1  0.678  0.057  0.226  1.0
  O  O36  1  0.930  0.070  0.406  1.0
  O  O37  1  0.677  0.032  0.710  1.0
[/CIF]
.