The material described by Yb6MoO12 crystallizes in the triclinic P-1 space group. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and two equivalent O(6) atoms. In the second Yb site, Yb(2) is bonded in a 5-coordinate geometry to one O(3), one O(5), one O(6), and two equivalent O(4) atoms. In the third Yb site, Yb(3) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), and two equivalent O(1) atoms. Mo(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Yb(1), two equivalent Yb(3), and one Mo(1) atom to form a mixture of distorted corner and edge-sharing OYb3Mo tetrahedra. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one Yb(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Yb(1), one Yb(2), one Yb(3), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Yb(3), two equivalent Yb(2), and one O(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Yb(1), one Yb(2), and one Yb(3) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Yb(2) and two equivalent Yb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb6MoO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.661
_cell_length_b   8.533
_cell_length_c   8.713
_cell_angle_alpha   140.415
_cell_angle_beta   102.600
_cell_angle_gamma   62.697
_symmetry_Int_Tables_number   1
_cell_volume   394.892
_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  0.064  0.880  0.264  1.0
  Yb  Yb1  1  0.936  0.120  0.736  1.0
  Yb  Yb2  1  0.698  0.880  0.136  1.0
  Yb  Yb3  1  0.302  0.120  0.864  1.0
  Yb  Yb4  1  0.828  0.611  0.643  1.0
  Yb  Yb5  1  0.172  0.389  0.357  1.0
  Mo  Mo6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.968  0.781  0.666  1.0
  O  O8  1  0.032  0.219  0.334  1.0
  O  O9  1  0.165  0.672  0.886  1.0
  O  O10  1  0.835  0.328  0.114  1.0
  O  O11  1  0.851  0.939  0.047  1.0
  O  O12  1  0.149  0.061  0.953  1.0
  O  O13  1  0.551  0.909  0.887  1.0
  O  O14  1  0.449  0.091  0.113  1.0
  O  O15  1  0.844  0.445  0.768  1.0
  O  O16  1  0.156  0.555  0.232  1.0
  O  O17  1  0.821  0.024  0.440  1.0
  O  O18  1  0.179  0.976  0.560  1.0
[/CIF]
.
The material described by Yb6MoO12 crystallizes in the triclinic P-1 space group. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and two equivalent O(6) atoms. In the second Yb site, Yb(2) is bonded in a 5-coordinate geometry to one O(3), one O(5), one O(6), and two equivalent O(4) atoms. In the third Yb site, Yb(3) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), and two equivalent O(1) atoms. Mo(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Yb(1), two equivalent Yb(3), and one Mo(1) atom to form a mixture of distorted corner and edge-sharing OYb3Mo tetrahedra. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one Yb(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Yb(1), one Yb(2), one Yb(3), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Yb(3), two equivalent Yb(2), and one O(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Yb(1), one Yb(2), and one Yb(3) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Yb(2) and two equivalent Yb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb6MoO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.661
_cell_length_b   8.533
_cell_length_c   8.713
_cell_angle_alpha   140.415
_cell_angle_beta   102.600
_cell_angle_gamma   62.697
_symmetry_Int_Tables_number   1
_cell_volume   394.892
_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  0.064  0.880  0.264  1.0
  Yb  Yb1  1  0.936  0.120  0.736  1.0
  Yb  Yb2  1  0.698  0.880  0.136  1.0
  Yb  Yb3  1  0.302  0.120  0.864  1.0
  Yb  Yb4  1  0.828  0.611  0.643  1.0
  Yb  Yb5  1  0.172  0.389  0.357  1.0
  Mo  Mo6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.968  0.781  0.666  1.0
  O  O8  1  0.032  0.219  0.334  1.0
  O  O9  1  0.165  0.672  0.886  1.0
  O  O10  1  0.835  0.328  0.114  1.0
  O  O11  1  0.851  0.939  0.047  1.0
  O  O12  1  0.149  0.061  0.953  1.0
  O  O13  1  0.551  0.909  0.887  1.0
  O  O14  1  0.449  0.091  0.113  1.0
  O  O15  1  0.844  0.445  0.768  1.0
  O  O16  1  0.156  0.555  0.232  1.0
  O  O17  1  0.821  0.024  0.440  1.0
  O  O18  1  0.179  0.976  0.560  1.0
[/CIF]
.