The material described by MgTh9YO20 is alpha bismuth trifluoride-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted see-saw-like geometry to one O(2), one O(4), one O(8), and one O(9) atom. There are nine inequivalent Th sites. In the first Th site, Th(1) is bonded in a body-centered cubic geometry to one O(1), one O(10), one O(13), one O(17), one O(20), one O(3), one O(5), and one O(7) atom. In the second Th site, Th(2) is bonded in a body-centered cubic geometry to one O(10), one O(14), one O(15), one O(16), one O(4), one O(6), one O(7), and one O(9) atom. In the third Th site, Th(3) is bonded in a body-centered cubic geometry to one O(1), one O(12), one O(17), one O(19), one O(2), one O(6), one O(8), and one O(9) atom. In the fourth Th site, Th(4) is bonded in a body-centered cubic geometry to one O(1), one O(11), one O(12), one O(13), one O(16), one O(18), one O(3), and one O(7) atom. In the fifth Th site, Th(5) is bonded in a body-centered cubic geometry to one O(10), one O(11), one O(13), one O(14), one O(19), one O(2), one O(20), and one O(5) atom. In the sixth Th site, Th(6) is bonded in a body-centered cubic geometry to one O(12), one O(14), one O(15), one O(17), one O(2), one O(3), one O(4), and one O(6) atom. In the seventh Th site, Th(7) is bonded in a body-centered cubic geometry to one O(1), one O(15), one O(17), one O(18), one O(20), one O(5), one O(8), and one O(9) atom. In the eighth Th site, Th(8) is bonded in a body-centered cubic geometry to one O(11), one O(14), one O(16), one O(18), one O(19), one O(5), one O(6), and one O(7) atom. In the ninth Th site, Th(9) is bonded in a body-centered cubic geometry to one O(11), one O(12), one O(15), one O(18), one O(20), one O(3), one O(4), and one O(8) atom. Y(1) is bonded in a 4-coordinate geometry to one O(10), one O(13), one O(16), one O(19), one O(2), one O(4), one O(8), and one O(9) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded to one Th(1), one Th(3), one Th(4), and one Th(7) atom to form OTh4 tetrahedra that share  a cornercorner with one O(11)Th4 tetrahedra,  a cornercorner with one O(15)Th4 tetrahedra,  a cornercorner with one O(17)Th4 tetrahedra,  a cornercorner with one O(6)Th4 tetrahedra,  a cornercorner with one O(10)YTh3 tetrahedra,  a cornercorner with one O(16)YTh3 tetrahedra,  a cornercorner with one O(19)YTh3 tetrahedra, corners with two equivalent O(3)Th4 tetrahedra, corners with two equivalent O(5)Th4 tetrahedra, corners with two equivalent O(13)YTh3 tetrahedra,  an edgeedge with one O(12)Th4 tetrahedra,  an edgeedge with one O(17)Th4 tetrahedra,  an edgeedge with one O(18)Th4 tetrahedra,  an edgeedge with one O(20)Th4 tetrahedra, and  an edgeedge with one O(7)Th4 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Th(3), one Th(5), one Th(6), and one Y(1) atom. In the third O site, O(3) is bonded to one Th(1), one Th(4), one Th(6), and one Th(9) atom to form OTh4 tetrahedra that share  a cornercorner with one O(12)Th4 tetrahedra,  a cornercorner with one O(14)Th4 tetrahedra,  a cornercorner with one O(5)Th4 tetrahedra,  a cornercorner with one O(6)Th4 tetrahedra,  a cornercorner with one O(10)YTh3 tetrahedra,  a cornercorner with one O(16)YTh3 tetrahedra, corners with two equivalent O(1)Th4 tetrahedra, corners with two equivalent O(11)Th4 tetrahedra, corners with two equivalent O(15)Th4 tetrahedra, corners with two equivalent O(7)Th4 tetrahedra,  an edgeedge with one O(12)Th4 tetrahedra,  an edgeedge with one O(17)Th4 tetrahedra,  an edgeedge with one O(18)Th4 tetrahedra,  an edgeedge with one O(20)Th4 tetrahedra, and  an edgeedge with one O(13)YTh3 tetrahedra. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), one Th(2), one Th(6), one Th(9), and one Y(1) atom. In the fifth O site, O(5) is bonded to one Th(1), one Th(5), one Th(7), and one Th(8) atom to form OTh4 tetrahedra that share  a cornercorner with one O(15)Th4 tetrahedra,  a cornercorner with one O(20)Th4 tetrahedra,  a cornercorner with one O(3)Th4 tetrahedra,  a cornercorner with one O(6)Th4 tetrahedra,  a cornercorner with one O(16)YTh3 tetrahedra, corners with two equivalent O(1)Th4 tetrahedra, corners with two equivalent O(11)Th4 tetrahedra, corners with two equivalent O(10)YTh3 tetrahedra, corners with two equivalent O(19)YTh3 tetrahedra,  an edgeedge with one O(14)Th4 tetrahedra,  an edgeedge with one O(17)Th4 tetrahedra,  an edgeedge with one O(18)Th4 tetrahedra,  an edgeedge with one O(20)Th4 tetrahedra,  an edgeedge with one O(7)Th4 tetrahedra, and  an edgeedge with one O(13)YTh3 tetrahedra. In the sixth O site, O(6) is bonded to one Th(2), one Th(3), one Th(6), and one Th(8) atom to form OTh4 tetrahedra that share  a cornercorner with one O(1)Th4 tetrahedra,  a cornercorner with one O(11)Th4 tetrahedra,  a cornercorner with one O(14)Th4 tetrahedra,  a cornercorner with one O(18)Th4 tetrahedra,  a cornercorner with one O(3)Th4 tetrahedra,  a cornercorner with one O(5)Th4 tetrahedra,  a cornercorner with one O(10)YTh3 tetrahedra, corners with two equivalent O(12)Th4 tetrahedra, corners with two equivalent O(15)Th4 tetrahedra, corners with two equivalent O(16)YTh3 tetrahedra,  an edgeedge with one O(14)Th4 tetrahedra,  an edgeedge with one O(17)Th4 tetrahedra,  an edgeedge with one O(7)Th4 tetrahedra, and  an edgeedge with one O(19)YTh3 tetrahedra. In the seventh O site, O(7) is bonded to one Th(1), one Th(2), one Th(4), and one Th(8) atom to form OTh4 tetrahedra that share  a cornercorner with one O(12)Th4 tetrahedra,  a cornercorner with one O(15)Th4 tetrahedra,  a cornercorner with one O(17)Th4 tetrahedra,  a cornercorner with one O(20)Th4 tetrahedra,  a cornercorner with one O(16)YTh3 tetrahedra,  a cornercorner with one O(19)YTh3 tetrahedra, corners with two equivalent O(14)Th4 tetrahedra, corners with two equivalent O(18)Th4 tetrahedra, corners with two equivalent O(3)Th4 tetrahedra, corners with two equivalent O(13)YTh3 tetrahedra,  an edgeedge with one O(1)Th4 tetrahedra,  an edgeedge with one O(11)Th4 tetrahedra,  an edgeedge with one O(5)Th4 tetrahedra,  an edgeedge with one O(6)Th4 tetrahedra,  an edgeedge with one O(10)YTh3 tetrahedra, and  an edgeedge with one O(16)YTh3 tetrahedra. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Mg(1), one Th(3), one Th(7), one Th(9), and one Y(1) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Mg(1), one Th(2), one Th(3), one Th(7), and one Y(1) atom. In the tenth O site, O(10) is bonded to one Th(1), one Th(2), one Th(5), and one Y(1) atom to form OYTh3 tetrahedra that share  a cornercorner with one O(1)Th4 tetrahedra,  a cornercorner with one O(11)Th4 tetrahedra,  a cornercorner with one O(15)Th4 tetrahedra,  a cornercorner with one O(17)Th4 tetrahedra,  a cornercorner with one O(3)Th4 tetrahedra,  a cornercorner with one O(6)Th4 tetrahedra,  a cornercorner with one O(13)YTh3 tetrahedra, corners with two equivalent O(5)Th4 tetrahedra, corners with two equivalent O(16)YTh3 tetrahedra,  an edgeedge with one O(14)Th4 tetrahedra,  an edgeedge with one O(20)Th4 tetrahedra,  an edgeedge with one O(7)Th4 tetrahedra,  an edgeedge with one O(13)YTh3 tetrahedra, and  an edgeedge with one O(19)YTh3 tetrahedra. In the eleventh O site, O(11) is bonded to one Th(4), one Th(5), one Th(8), and one Th(9) atom to form OTh4 tetrahedra that share  a cornercorner with one O(1)Th4 tetrahedra,  a cornercorner with one O(15)Th4 tetrahedra,  a cornercorner with one O(18)Th4 tetrahedra,  a cornercorner with one O(6)Th4 tetrahedra,  a cornercorner with one O(10)YTh3 tetrahedra, corners with two equivalent O(14)Th4 tetrahedra, corners with two equivalent O(3)Th4 tetrahedra, corners with two equivalent O(5)Th4 tetrahedra, corners with two equivalent O(16)YTh3 tetrahedra,  an edgeedge with one O(12)Th4 tetrahedra,  an edgeedge with one O(18)Th4 tetrahedra,  an edgeedge with one O(20)Th4 tetrahedra,  an edgeedge with one O(7)Th4 tetrahedra,  an edgeedge with one O(13)YTh3 tetrahedra, and  an edgeedge with one O(19)YTh3 tetrahedra. In the twelfth O site, O(12) is bonded to one Th(3), one Th(4), one Th(6), and one Th(9) atom to form OTh4 tetrahedra that share  a cornercorner with one O(14)Th4 tetrahedra,  a cornercorner with one O(20)Th4 tetrahedra,  a cornercorner with one O(3)Th4 tetrahedra,  a cornercorner with one O(7)Th4 tetrahedra,  a cornercorner with one O(13)YTh3 tetrahedra,  a cornercorner with one O(16)YTh3 tetrahedra,  a cornercorner with one O(19)YTh3 tetrahedra, corners with two equivalent O(17)Th4 tetrahedra, corners with two equivalent O(18)Th4 tetrahedra, corners with two equivalent O(6)Th4 tetrahedra,  an edgeedge with one O(1)Th4 tetrahedra,  an edgeedge with one O(11)Th4 tetrahedra,  an edgeedge with one O(15)Th4 tetrahedra, and  an edgeedge with one O(3)Th4 tetrahedra. In the thirteenth O site, O(13) is bonded to one Th(1), one Th(4), one Th(5), and one Y(1) atom to form OYTh3 tetrahedra that share  a cornercorner with one O(12)Th4 tetrahedra,  a cornercorner with one O(14)Th4 tetrahedra,  a cornercorner with one O(17)Th4 tetrahedra,  a cornercorner with one O(18)Th4 tetrahedra,  a cornercorner with one O(10)YTh3 tetrahedra, corners with two equivalent O(1)Th4 tetrahedra, corners with two equivalent O(20)Th4 tetrahedra, corners with two equivalent O(7)Th4 tetrahedra, corners with two equivalent O(19)YTh3 tetrahedra,  an edgeedge with one O(11)Th4 tetrahedra,  an edgeedge with one O(3)Th4 tetrahedra,  an edgeedge with one O(5)Th4 tetrahedra,  an edgeedge with one O(10)YTh3 tetrahedra, and  an edgeedge with one O(16)YTh3 tetrahedra. In the fourteenth O site, O(14) is bonded to one Th(2), one Th(5), one Th(6), and one Th(8) atom to form OTh4 tetrahedra that share  a cornercorner with one O(12)Th4 tetrahedra,  a cornercorner with one O(17)Th4 tetrahedra,  a cornercorner with one O(18)Th4 tetrahedra,  a cornercorner with one O(20)Th4 tetrahedra,  a cornercorner with one O(3)Th4 tetrahedra,  a cornercorner with one O(6)Th4 tetrahedra,  a cornercorner with one O(13)YTh3 tetrahedra, corners with two equivalent O(11)Th4 tetrahedra, corners with two equivalent O(7)Th4 tetrahedra, corners with two equivalent O(19)YTh3 tetrahedra,  an edgeedge with one O(15)Th4 tetrahedra,  an edgeedge with one O(5)Th4 tetrahedra,  an edgeedge with one O(6)Th4 tetrahedra,  an edgeedge with one O(10)YTh3 tetrahedra, and  an edgeedge with one O(16)YTh3 tetrahedra. In the fifteenth O site, O(15) is bonded to one Th(2), one Th(6), one Th(7), and one Th(9) atom to form OTh4 tetrahedra that share  a cornercorner with one O(1)Th4 tetrahedra,  a cornercorner with one O(11)Th4 tetrahedra,  a cornercorner with one O(5)Th4 tetrahedra,  a cornercorner with one O(7)Th4 tetrahedra,  a cornercorner with one O(10)YTh3 tetrahedra,  a cornercorner with one O(16)YTh3 tetrahedra, corners with two equivalent O(18)Th4 tetrahedra, corners with two equivalent O(3)Th4 tetrahedra, corners with two equivalent O(6)Th4 tetrahedra,  an edgeedge with one O(12)Th4 tetrahedra,  an edgeedge with one O(14)Th4 tetrahedra,  an edgeedge with one O(17)Th4 tetrahedra, and  an edgeedge with one O(20)Th4 tetrahedra. In the sixteenth O site, O(16) is bonded to one Th(2), one Th(4), one Th(8), and one Y(1) atom to form OYTh3 tetrahedra that share  a cornercorner with one O(1)Th4 tetrahedra,  a cornercorner with one O(12)Th4 tetrahedra,  a cornercorner with one O(15)Th4 tetrahedra,  a cornercorner with one O(3)Th4 tetrahedra,  a cornercorner with one O(5)Th4 tetrahedra,  a cornercorner with one O(7)Th4 tetrahedra, corners with two equivalent O(11)Th4 tetrahedra, corners with two equivalent O(6)Th4 tetrahedra, corners with two equivalent O(10)YTh3 tetrahedra,  an edgeedge with one O(14)Th4 tetrahedra,  an edgeedge with one O(18)Th4 tetrahedra,  an edgeedge with one O(7)Th4 tetrahedra,  an edgeedge with one O(13)YTh3 tetrahedra, and  an edgeedge with one O(19)YTh3 tetrahedra. In the seventeenth O site, O(17) is bonded to one Th(1), one Th(3), one Th(6), and one Th(7) atom to form OTh4 tetrahedra that share  a cornercorner with one O(1)Th4 tetrahedra,  a cornercorner with one O(14)Th4 tetrahedra,  a cornercorner with one O(18)Th4 tetrahedra,  a cornercorner with one O(7)Th4 tetrahedra,  a cornercorner with one O(10)YTh3 tetrahedra,  a cornercorner with one O(13)YTh3 tetrahedra,  a cornercorner with one O(19)YTh3 tetrahedra, corners with two equivalent O(12)Th4 tetrahedra, corners with two equivalent O(20)Th4 tetrahedra,  an edgeedge with one O(1)Th4 tetrahedra,  an edgeedge with one O(15)Th4 tetrahedra,  an edgeedge with one O(3)Th4 tetrahedra,  an edgeedge with one O(5)Th4 tetrahedra, and  an edgeedge with one O(6)Th4 tetrahedra. In the eighteenth O site, O(18) is bonded to one Th(4), one Th(7), one Th(8), and one Th(9) atom to form OTh4 tetrahedra that share  a cornercorner with one O(11)Th4 tetrahedra,  a cornercorner with one O(14)Th4 tetrahedra,  a cornercorner with one O(17)Th4 tetrahedra,  a cornercorner with one O(6)Th4 tetrahedra,  a cornercorner with one O(13)YTh3 tetrahedra,  a cornercorner with one O(19)YTh3 tetrahedra, corners with two equivalent O(12)Th4 tetrahedra, corners with two equivalent O(15)Th4 tetrahedra, corners with two equivalent O(20)Th4 tetrahedra, corners with two equivalent O(7)Th4 tetrahedra,  an edgeedge with one O(1)Th4 tetrahedra,  an edgeedge with one O(11)Th4 tetrahedra,  an edgeedge with one O(3)Th4 tetrahedra,  an edgeedge with one O(5)Th4 tetrahedra, and  an edgeedge with one O(16)YTh3 tetrahedra. In the nineteenth O site, O(19) is bonded to one Th(3), one Th(5), one Th(8), and one Y(1) atom to form OYTh3 tetrahedra that share  a cornercorner with one O(1)Th4 tetrahedra,  a cornercorner with one O(12)Th4 tetrahedra,  a cornercorner with one O(17)Th4 tetrahedra,  a cornercorner with one O(18)Th4 tetrahedra,  a cornercorner with one O(20)Th4 tetrahedra,  a cornercorner with one O(7)Th4 tetrahedra, corners with two equivalent O(14)Th4 tetrahedra, corners with two equivalent O(5)Th4 tetrahedra, corners with two equivalent O(13)YTh3 tetrahedra,  an edgeedge with one O(11)Th4 tetrahedra,  an edgeedge with one O(6)Th4 tetrahedra,  an edgeedge with one O(10)YTh3 tetrahedra, and  an edgeedge with one O(16)YTh3 tetrahedra. In the twentieth O site, O(20) is bonded to one Th(1), one Th(5), one Th(7), and one Th(9) atom to form OTh4 tetrahedra that share  a cornercorner with one O(12)Th4 tetrahedra,  a cornercorner with one O(14)Th4 tetrahedra,  a cornercorner with one O(5)Th4 tetrahedra,  a cornercorner with one O(7)Th4 tetrahedra,  a cornercorner with one O(19)YTh3 tetrahedra, corners with two equivalent O(17)Th4 tetrahedra, corners with two equivalent O(18)Th4 tetrahedra, corners with two equivalent O(13)YTh3 tetrahedra,  an edgeedge with one O(1)Th4 tetrahedra,  an edgeedge with one O(11)Th4 tetrahedra,  an edgeedge with one O(15)Th4 tetrahedra,  an edgeedge with one O(3)Th4 tetrahedra,  an edgeedge with one O(5)Th4 tetrahedra, and  an edgeedge with one O(10)YTh3 tetrahedra. is represented by the CIF card [CIF]
data_YTh9MgO20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.982
_cell_length_b   20.033
_cell_length_c   10.624
_cell_angle_alpha   19.008
_cell_angle_beta   55.455
_cell_angle_gamma   59.915
_symmetry_Int_Tables_number   1
_cell_volume   451.870
_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
  Y  Y0  1  0.964  0.981  0.085  1.0
  Th  Th1  1  0.005  0.199  0.999  1.0
  Th  Th2  1  0.507  0.004  0.987  1.0
  Th  Th3  1  0.000  0.420  0.957  1.0
  Th  Th4  1  0.497  0.199  0.006  1.0
  Th  Th5  1  0.004  0.588  0.017  1.0
  Th  Th6  1  0.511  0.410  0.977  1.0
  Th  Th7  1  0.000  0.799  0.991  1.0
  Th  Th8  1  0.499  0.597  0.004  1.0
  Th  Th9  1  0.512  0.796  0.998  1.0
  Mg  Mg10  1  0.190  0.082  0.607  1.0
  O  O11  1  0.124  0.155  0.232  1.0
  O  O12  1  0.129  0.346  0.251  1.0
  O  O13  1  0.640  0.153  0.239  1.0
  O  O14  1  0.370  0.055  0.737  1.0
  O  O15  1  0.128  0.546  0.252  1.0
  O  O16  1  0.631  0.353  0.237  1.0
  O  O17  1  0.382  0.249  0.744  1.0
  O  O18  1  0.122  0.767  0.219  1.0
  O  O19  1  0.885  0.059  0.724  1.0
  O  O20  1  0.125  0.944  0.265  1.0
  O  O21  1  0.629  0.545  0.256  1.0
  O  O22  1  0.380  0.466  0.715  1.0
  O  O23  1  0.873  0.247  0.759  1.0
  O  O24  1  0.381  0.650  0.744  1.0
  O  O25  1  0.631  0.757  0.232  1.0
  O  O26  1  0.622  0.947  0.258  1.0
  O  O27  1  0.881  0.461  0.725  1.0
  O  O28  1  0.379  0.840  0.761  1.0
  O  O29  1  0.873  0.645  0.763  1.0
  O  O30  1  0.878  0.842  0.761  1.0
[/CIF]
.
The material described by MgTh9YO20 is alpha bismuth trifluoride-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted see-saw-like geometry to one O(2), one O(4), one O(8), and one O(9) atom. There are nine inequivalent Th sites. In the first Th site, Th(1) is bonded in a body-centered cubic geometry to one O(1), one O(10), one O(13), one O(17), one O(20), one O(3), one O(5), and one O(7) atom. In the second Th site, Th(2) is bonded in a body-centered cubic geometry to one O(10), one O(14), one O(15), one O(16), one O(4), one O(6), one O(7), and one O(9) atom. In the third Th site, Th(3) is bonded in a body-centered cubic geometry to one O(1), one O(12), one O(17), one O(19), one O(2), one O(6), one O(8), and one O(9) atom. In the fourth Th site, Th(4) is bonded in a body-centered cubic geometry to one O(1), one O(11), one O(12), one O(13), one O(16), one O(18), one O(3), and one O(7) atom. In the fifth Th site, Th(5) is bonded in a body-centered cubic geometry to one O(10), one O(11), one O(13), one O(14), one O(19), one O(2), one O(20), and one O(5) atom. In the sixth Th site, Th(6) is bonded in a body-centered cubic geometry to one O(12), one O(14), one O(15), one O(17), one O(2), one O(3), one O(4), and one O(6) atom. In the seventh Th site, Th(7) is bonded in a body-centered cubic geometry to one O(1), one O(15), one O(17), one O(18), one O(20), one O(5), one O(8), and one O(9) atom. In the eighth Th site, Th(8) is bonded in a body-centered cubic geometry to one O(11), one O(14), one O(16), one O(18), one O(19), one O(5), one O(6), and one O(7) atom. In the ninth Th site, Th(9) is bonded in a body-centered cubic geometry to one O(11), one O(12), one O(15), one O(18), one O(20), one O(3), one O(4), and one O(8) atom. Y(1) is bonded in a 4-coordinate geometry to one O(10), one O(13), one O(16), one O(19), one O(2), one O(4), one O(8), and one O(9) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded to one Th(1), one Th(3), one Th(4), and one Th(7) atom to form OTh4 tetrahedra that share  a cornercorner with one O(11)Th4 tetrahedra,  a cornercorner with one O(15)Th4 tetrahedra,  a cornercorner with one O(17)Th4 tetrahedra,  a cornercorner with one O(6)Th4 tetrahedra,  a cornercorner with one O(10)YTh3 tetrahedra,  a cornercorner with one O(16)YTh3 tetrahedra,  a cornercorner with one O(19)YTh3 tetrahedra, corners with two equivalent O(3)Th4 tetrahedra, corners with two equivalent O(5)Th4 tetrahedra, corners with two equivalent O(13)YTh3 tetrahedra,  an edgeedge with one O(12)Th4 tetrahedra,  an edgeedge with one O(17)Th4 tetrahedra,  an edgeedge with one O(18)Th4 tetrahedra,  an edgeedge with one O(20)Th4 tetrahedra, and  an edgeedge with one O(7)Th4 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Th(3), one Th(5), one Th(6), and one Y(1) atom. In the third O site, O(3) is bonded to one Th(1), one Th(4), one Th(6), and one Th(9) atom to form OTh4 tetrahedra that share  a cornercorner with one O(12)Th4 tetrahedra,  a cornercorner with one O(14)Th4 tetrahedra,  a cornercorner with one O(5)Th4 tetrahedra,  a cornercorner with one O(6)Th4 tetrahedra,  a cornercorner with one O(10)YTh3 tetrahedra,  a cornercorner with one O(16)YTh3 tetrahedra, corners with two equivalent O(1)Th4 tetrahedra, corners with two equivalent O(11)Th4 tetrahedra, corners with two equivalent O(15)Th4 tetrahedra, corners with two equivalent O(7)Th4 tetrahedra,  an edgeedge with one O(12)Th4 tetrahedra,  an edgeedge with one O(17)Th4 tetrahedra,  an edgeedge with one O(18)Th4 tetrahedra,  an edgeedge with one O(20)Th4 tetrahedra, and  an edgeedge with one O(13)YTh3 tetrahedra. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), one Th(2), one Th(6), one Th(9), and one Y(1) atom. In the fifth O site, O(5) is bonded to one Th(1), one Th(5), one Th(7), and one Th(8) atom to form OTh4 tetrahedra that share  a cornercorner with one O(15)Th4 tetrahedra,  a cornercorner with one O(20)Th4 tetrahedra,  a cornercorner with one O(3)Th4 tetrahedra,  a cornercorner with one O(6)Th4 tetrahedra,  a cornercorner with one O(16)YTh3 tetrahedra, corners with two equivalent O(1)Th4 tetrahedra, corners with two equivalent O(11)Th4 tetrahedra, corners with two equivalent O(10)YTh3 tetrahedra, corners with two equivalent O(19)YTh3 tetrahedra,  an edgeedge with one O(14)Th4 tetrahedra,  an edgeedge with one O(17)Th4 tetrahedra,  an edgeedge with one O(18)Th4 tetrahedra,  an edgeedge with one O(20)Th4 tetrahedra,  an edgeedge with one O(7)Th4 tetrahedra, and  an edgeedge with one O(13)YTh3 tetrahedra. In the sixth O site, O(6) is bonded to one Th(2), one Th(3), one Th(6), and one Th(8) atom to form OTh4 tetrahedra that share  a cornercorner with one O(1)Th4 tetrahedra,  a cornercorner with one O(11)Th4 tetrahedra,  a cornercorner with one O(14)Th4 tetrahedra,  a cornercorner with one O(18)Th4 tetrahedra,  a cornercorner with one O(3)Th4 tetrahedra,  a cornercorner with one O(5)Th4 tetrahedra,  a cornercorner with one O(10)YTh3 tetrahedra, corners with two equivalent O(12)Th4 tetrahedra, corners with two equivalent O(15)Th4 tetrahedra, corners with two equivalent O(16)YTh3 tetrahedra,  an edgeedge with one O(14)Th4 tetrahedra,  an edgeedge with one O(17)Th4 tetrahedra,  an edgeedge with one O(7)Th4 tetrahedra, and  an edgeedge with one O(19)YTh3 tetrahedra. In the seventh O site, O(7) is bonded to one Th(1), one Th(2), one Th(4), and one Th(8) atom to form OTh4 tetrahedra that share  a cornercorner with one O(12)Th4 tetrahedra,  a cornercorner with one O(15)Th4 tetrahedra,  a cornercorner with one O(17)Th4 tetrahedra,  a cornercorner with one O(20)Th4 tetrahedra,  a cornercorner with one O(16)YTh3 tetrahedra,  a cornercorner with one O(19)YTh3 tetrahedra, corners with two equivalent O(14)Th4 tetrahedra, corners with two equivalent O(18)Th4 tetrahedra, corners with two equivalent O(3)Th4 tetrahedra, corners with two equivalent O(13)YTh3 tetrahedra,  an edgeedge with one O(1)Th4 tetrahedra,  an edgeedge with one O(11)Th4 tetrahedra,  an edgeedge with one O(5)Th4 tetrahedra,  an edgeedge with one O(6)Th4 tetrahedra,  an edgeedge with one O(10)YTh3 tetrahedra, and  an edgeedge with one O(16)YTh3 tetrahedra. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Mg(1), one Th(3), one Th(7), one Th(9), and one Y(1) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Mg(1), one Th(2), one Th(3), one Th(7), and one Y(1) atom. In the tenth O site, O(10) is bonded to one Th(1), one Th(2), one Th(5), and one Y(1) atom to form OYTh3 tetrahedra that share  a cornercorner with one O(1)Th4 tetrahedra,  a cornercorner with one O(11)Th4 tetrahedra,  a cornercorner with one O(15)Th4 tetrahedra,  a cornercorner with one O(17)Th4 tetrahedra,  a cornercorner with one O(3)Th4 tetrahedra,  a cornercorner with one O(6)Th4 tetrahedra,  a cornercorner with one O(13)YTh3 tetrahedra, corners with two equivalent O(5)Th4 tetrahedra, corners with two equivalent O(16)YTh3 tetrahedra,  an edgeedge with one O(14)Th4 tetrahedra,  an edgeedge with one O(20)Th4 tetrahedra,  an edgeedge with one O(7)Th4 tetrahedra,  an edgeedge with one O(13)YTh3 tetrahedra, and  an edgeedge with one O(19)YTh3 tetrahedra. In the eleventh O site, O(11) is bonded to one Th(4), one Th(5), one Th(8), and one Th(9) atom to form OTh4 tetrahedra that share  a cornercorner with one O(1)Th4 tetrahedra,  a cornercorner with one O(15)Th4 tetrahedra,  a cornercorner with one O(18)Th4 tetrahedra,  a cornercorner with one O(6)Th4 tetrahedra,  a cornercorner with one O(10)YTh3 tetrahedra, corners with two equivalent O(14)Th4 tetrahedra, corners with two equivalent O(3)Th4 tetrahedra, corners with two equivalent O(5)Th4 tetrahedra, corners with two equivalent O(16)YTh3 tetrahedra,  an edgeedge with one O(12)Th4 tetrahedra,  an edgeedge with one O(18)Th4 tetrahedra,  an edgeedge with one O(20)Th4 tetrahedra,  an edgeedge with one O(7)Th4 tetrahedra,  an edgeedge with one O(13)YTh3 tetrahedra, and  an edgeedge with one O(19)YTh3 tetrahedra. In the twelfth O site, O(12) is bonded to one Th(3), one Th(4), one Th(6), and one Th(9) atom to form OTh4 tetrahedra that share  a cornercorner with one O(14)Th4 tetrahedra,  a cornercorner with one O(20)Th4 tetrahedra,  a cornercorner with one O(3)Th4 tetrahedra,  a cornercorner with one O(7)Th4 tetrahedra,  a cornercorner with one O(13)YTh3 tetrahedra,  a cornercorner with one O(16)YTh3 tetrahedra,  a cornercorner with one O(19)YTh3 tetrahedra, corners with two equivalent O(17)Th4 tetrahedra, corners with two equivalent O(18)Th4 tetrahedra, corners with two equivalent O(6)Th4 tetrahedra,  an edgeedge with one O(1)Th4 tetrahedra,  an edgeedge with one O(11)Th4 tetrahedra,  an edgeedge with one O(15)Th4 tetrahedra, and  an edgeedge with one O(3)Th4 tetrahedra. In the thirteenth O site, O(13) is bonded to one Th(1), one Th(4), one Th(5), and one Y(1) atom to form OYTh3 tetrahedra that share  a cornercorner with one O(12)Th4 tetrahedra,  a cornercorner with one O(14)Th4 tetrahedra,  a cornercorner with one O(17)Th4 tetrahedra,  a cornercorner with one O(18)Th4 tetrahedra,  a cornercorner with one O(10)YTh3 tetrahedra, corners with two equivalent O(1)Th4 tetrahedra, corners with two equivalent O(20)Th4 tetrahedra, corners with two equivalent O(7)Th4 tetrahedra, corners with two equivalent O(19)YTh3 tetrahedra,  an edgeedge with one O(11)Th4 tetrahedra,  an edgeedge with one O(3)Th4 tetrahedra,  an edgeedge with one O(5)Th4 tetrahedra,  an edgeedge with one O(10)YTh3 tetrahedra, and  an edgeedge with one O(16)YTh3 tetrahedra. In the fourteenth O site, O(14) is bonded to one Th(2), one Th(5), one Th(6), and one Th(8) atom to form OTh4 tetrahedra that share  a cornercorner with one O(12)Th4 tetrahedra,  a cornercorner with one O(17)Th4 tetrahedra,  a cornercorner with one O(18)Th4 tetrahedra,  a cornercorner with one O(20)Th4 tetrahedra,  a cornercorner with one O(3)Th4 tetrahedra,  a cornercorner with one O(6)Th4 tetrahedra,  a cornercorner with one O(13)YTh3 tetrahedra, corners with two equivalent O(11)Th4 tetrahedra, corners with two equivalent O(7)Th4 tetrahedra, corners with two equivalent O(19)YTh3 tetrahedra,  an edgeedge with one O(15)Th4 tetrahedra,  an edgeedge with one O(5)Th4 tetrahedra,  an edgeedge with one O(6)Th4 tetrahedra,  an edgeedge with one O(10)YTh3 tetrahedra, and  an edgeedge with one O(16)YTh3 tetrahedra. In the fifteenth O site, O(15) is bonded to one Th(2), one Th(6), one Th(7), and one Th(9) atom to form OTh4 tetrahedra that share  a cornercorner with one O(1)Th4 tetrahedra,  a cornercorner with one O(11)Th4 tetrahedra,  a cornercorner with one O(5)Th4 tetrahedra,  a cornercorner with one O(7)Th4 tetrahedra,  a cornercorner with one O(10)YTh3 tetrahedra,  a cornercorner with one O(16)YTh3 tetrahedra, corners with two equivalent O(18)Th4 tetrahedra, corners with two equivalent O(3)Th4 tetrahedra, corners with two equivalent O(6)Th4 tetrahedra,  an edgeedge with one O(12)Th4 tetrahedra,  an edgeedge with one O(14)Th4 tetrahedra,  an edgeedge with one O(17)Th4 tetrahedra, and  an edgeedge with one O(20)Th4 tetrahedra. In the sixteenth O site, O(16) is bonded to one Th(2), one Th(4), one Th(8), and one Y(1) atom to form OYTh3 tetrahedra that share  a cornercorner with one O(1)Th4 tetrahedra,  a cornercorner with one O(12)Th4 tetrahedra,  a cornercorner with one O(15)Th4 tetrahedra,  a cornercorner with one O(3)Th4 tetrahedra,  a cornercorner with one O(5)Th4 tetrahedra,  a cornercorner with one O(7)Th4 tetrahedra, corners with two equivalent O(11)Th4 tetrahedra, corners with two equivalent O(6)Th4 tetrahedra, corners with two equivalent O(10)YTh3 tetrahedra,  an edgeedge with one O(14)Th4 tetrahedra,  an edgeedge with one O(18)Th4 tetrahedra,  an edgeedge with one O(7)Th4 tetrahedra,  an edgeedge with one O(13)YTh3 tetrahedra, and  an edgeedge with one O(19)YTh3 tetrahedra. In the seventeenth O site, O(17) is bonded to one Th(1), one Th(3), one Th(6), and one Th(7) atom to form OTh4 tetrahedra that share  a cornercorner with one O(1)Th4 tetrahedra,  a cornercorner with one O(14)Th4 tetrahedra,  a cornercorner with one O(18)Th4 tetrahedra,  a cornercorner with one O(7)Th4 tetrahedra,  a cornercorner with one O(10)YTh3 tetrahedra,  a cornercorner with one O(13)YTh3 tetrahedra,  a cornercorner with one O(19)YTh3 tetrahedra, corners with two equivalent O(12)Th4 tetrahedra, corners with two equivalent O(20)Th4 tetrahedra,  an edgeedge with one O(1)Th4 tetrahedra,  an edgeedge with one O(15)Th4 tetrahedra,  an edgeedge with one O(3)Th4 tetrahedra,  an edgeedge with one O(5)Th4 tetrahedra, and  an edgeedge with one O(6)Th4 tetrahedra. In the eighteenth O site, O(18) is bonded to one Th(4), one Th(7), one Th(8), and one Th(9) atom to form OTh4 tetrahedra that share  a cornercorner with one O(11)Th4 tetrahedra,  a cornercorner with one O(14)Th4 tetrahedra,  a cornercorner with one O(17)Th4 tetrahedra,  a cornercorner with one O(6)Th4 tetrahedra,  a cornercorner with one O(13)YTh3 tetrahedra,  a cornercorner with one O(19)YTh3 tetrahedra, corners with two equivalent O(12)Th4 tetrahedra, corners with two equivalent O(15)Th4 tetrahedra, corners with two equivalent O(20)Th4 tetrahedra, corners with two equivalent O(7)Th4 tetrahedra,  an edgeedge with one O(1)Th4 tetrahedra,  an edgeedge with one O(11)Th4 tetrahedra,  an edgeedge with one O(3)Th4 tetrahedra,  an edgeedge with one O(5)Th4 tetrahedra, and  an edgeedge with one O(16)YTh3 tetrahedra. In the nineteenth O site, O(19) is bonded to one Th(3), one Th(5), one Th(8), and one Y(1) atom to form OYTh3 tetrahedra that share  a cornercorner with one O(1)Th4 tetrahedra,  a cornercorner with one O(12)Th4 tetrahedra,  a cornercorner with one O(17)Th4 tetrahedra,  a cornercorner with one O(18)Th4 tetrahedra,  a cornercorner with one O(20)Th4 tetrahedra,  a cornercorner with one O(7)Th4 tetrahedra, corners with two equivalent O(14)Th4 tetrahedra, corners with two equivalent O(5)Th4 tetrahedra, corners with two equivalent O(13)YTh3 tetrahedra,  an edgeedge with one O(11)Th4 tetrahedra,  an edgeedge with one O(6)Th4 tetrahedra,  an edgeedge with one O(10)YTh3 tetrahedra, and  an edgeedge with one O(16)YTh3 tetrahedra. In the twentieth O site, O(20) is bonded to one Th(1), one Th(5), one Th(7), and one Th(9) atom to form OTh4 tetrahedra that share  a cornercorner with one O(12)Th4 tetrahedra,  a cornercorner with one O(14)Th4 tetrahedra,  a cornercorner with one O(5)Th4 tetrahedra,  a cornercorner with one O(7)Th4 tetrahedra,  a cornercorner with one O(19)YTh3 tetrahedra, corners with two equivalent O(17)Th4 tetrahedra, corners with two equivalent O(18)Th4 tetrahedra, corners with two equivalent O(13)YTh3 tetrahedra,  an edgeedge with one O(1)Th4 tetrahedra,  an edgeedge with one O(11)Th4 tetrahedra,  an edgeedge with one O(15)Th4 tetrahedra,  an edgeedge with one O(3)Th4 tetrahedra,  an edgeedge with one O(5)Th4 tetrahedra, and  an edgeedge with one O(10)YTh3 tetrahedra. is represented by the CIF card [CIF]
data_YTh9MgO20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.982
_cell_length_b   20.033
_cell_length_c   10.624
_cell_angle_alpha   19.008
_cell_angle_beta   55.455
_cell_angle_gamma   59.915
_symmetry_Int_Tables_number   1
_cell_volume   451.870
_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
  Y  Y0  1  0.964  0.981  0.085  1.0
  Th  Th1  1  0.005  0.199  0.999  1.0
  Th  Th2  1  0.507  0.004  0.987  1.0
  Th  Th3  1  0.000  0.420  0.957  1.0
  Th  Th4  1  0.497  0.199  0.006  1.0
  Th  Th5  1  0.004  0.588  0.017  1.0
  Th  Th6  1  0.511  0.410  0.977  1.0
  Th  Th7  1  0.000  0.799  0.991  1.0
  Th  Th8  1  0.499  0.597  0.004  1.0
  Th  Th9  1  0.512  0.796  0.998  1.0
  Mg  Mg10  1  0.190  0.082  0.607  1.0
  O  O11  1  0.124  0.155  0.232  1.0
  O  O12  1  0.129  0.346  0.251  1.0
  O  O13  1  0.640  0.153  0.239  1.0
  O  O14  1  0.370  0.055  0.737  1.0
  O  O15  1  0.128  0.546  0.252  1.0
  O  O16  1  0.631  0.353  0.237  1.0
  O  O17  1  0.382  0.249  0.744  1.0
  O  O18  1  0.122  0.767  0.219  1.0
  O  O19  1  0.885  0.059  0.724  1.0
  O  O20  1  0.125  0.944  0.265  1.0
  O  O21  1  0.629  0.545  0.256  1.0
  O  O22  1  0.380  0.466  0.715  1.0
  O  O23  1  0.873  0.247  0.759  1.0
  O  O24  1  0.381  0.650  0.744  1.0
  O  O25  1  0.631  0.757  0.232  1.0
  O  O26  1  0.622  0.947  0.258  1.0
  O  O27  1  0.881  0.461  0.725  1.0
  O  O28  1  0.379  0.840  0.761  1.0
  O  O29  1  0.873  0.645  0.763  1.0
  O  O30  1  0.878  0.842  0.761  1.0
[/CIF]
.