The structure described by Yb3SiO is (Cubic) Perovskite-like structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a distorted linear geometry to four equivalent Si(1) and two equivalent O(1) atoms. In the second Yb site, Yb(2) is bonded in a linear geometry to four equivalent Si(1) and two equivalent O(1) atoms. Si(1) is bonded to four equivalent Yb(1) and eight equivalent Yb(2) atoms to form SiYb12 cuboctahedra that share corners with twelve equivalent Si(1)Yb12 cuboctahedra, faces with six equivalent Si(1)Yb12 cuboctahedra, and faces with eight equivalent O(1)Yb6 octahedra. O(1) is bonded to two equivalent Yb(1) and four equivalent Yb(2) atoms to form OYb6 octahedra that share corners with six equivalent O(1)Yb6 octahedra and faces with eight equivalent Si(1)Yb12 cuboctahedra. The corner-sharing octahedral tilt angles range from 5-6°. is represented by the CIF card [CIF]
data_Yb3SiO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.482
_cell_length_b   6.481
_cell_length_c   9.167
_cell_angle_alpha   90.040
_cell_angle_beta   45.030
_cell_angle_gamma   60.038
_symmetry_Int_Tables_number   1
_cell_volume   192.791
_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  0.961  0.520  0.269  1.0
  Yb  Yb1  1  0.039  0.481  0.731  1.0
  Yb  Yb2  1  0.493  0.000  0.763  1.0
  Yb  Yb3  1  0.493  0.507  0.244  1.0
  Yb  Yb4  1  0.507  0.000  0.237  1.0
  Yb  Yb5  1  0.507  0.493  0.756  1.0
  Si  Si6  1  0.000  1.000  0.250  1.0
  Si  Si7  1  1.000  1.000  0.750  1.0
  O  O8  1  1.000  0.500  0.500  1.0
  O  O9  1  1.000  0.500  0.000  1.0
[/CIF]
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The structure described by Yb3SiO is (Cubic) Perovskite-like structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a distorted linear geometry to four equivalent Si(1) and two equivalent O(1) atoms. In the second Yb site, Yb(2) is bonded in a linear geometry to four equivalent Si(1) and two equivalent O(1) atoms. Si(1) is bonded to four equivalent Yb(1) and eight equivalent Yb(2) atoms to form SiYb12 cuboctahedra that share corners with twelve equivalent Si(1)Yb12 cuboctahedra, faces with six equivalent Si(1)Yb12 cuboctahedra, and faces with eight equivalent O(1)Yb6 octahedra. O(1) is bonded to two equivalent Yb(1) and four equivalent Yb(2) atoms to form OYb6 octahedra that share corners with six equivalent O(1)Yb6 octahedra and faces with eight equivalent Si(1)Yb12 cuboctahedra. The corner-sharing octahedral tilt angles range from 5-6°. is represented by the CIF card [CIF]
data_Yb3SiO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.482
_cell_length_b   6.481
_cell_length_c   9.167
_cell_angle_alpha   90.040
_cell_angle_beta   45.030
_cell_angle_gamma   60.038
_symmetry_Int_Tables_number   1
_cell_volume   192.791
_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  0.961  0.520  0.269  1.0
  Yb  Yb1  1  0.039  0.481  0.731  1.0
  Yb  Yb2  1  0.493  0.000  0.763  1.0
  Yb  Yb3  1  0.493  0.507  0.244  1.0
  Yb  Yb4  1  0.507  0.000  0.237  1.0
  Yb  Yb5  1  0.507  0.493  0.756  1.0
  Si  Si6  1  0.000  1.000  0.250  1.0
  Si  Si7  1  1.000  1.000  0.750  1.0
  O  O8  1  1.000  0.500  0.500  1.0
  O  O9  1  1.000  0.500  0.000  1.0
[/CIF]
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