The material structure described by Cs3Yb crystallizes in the hexagonal P6_3/mmc space group. Cs(1) is bonded to eight equivalent Cs(1) and four equivalent Yb(1) atoms to form distorted CsCs8Yb4 cuboctahedra that share corners with four equivalent Yb(1)Cs12 cuboctahedra, corners with fourteen equivalent Cs(1)Cs8Yb4 cuboctahedra, edges with six equivalent Yb(1)Cs12 cuboctahedra, edges with twelve equivalent Cs(1)Cs8Yb4 cuboctahedra, faces with four equivalent Yb(1)Cs12 cuboctahedra, and faces with sixteen equivalent Cs(1)Cs8Yb4 cuboctahedra. Yb(1) is bonded to twelve equivalent Cs(1) atoms to form distorted YbCs12 cuboctahedra that share corners with six equivalent Yb(1)Cs12 cuboctahedra, corners with twelve equivalent Cs(1)Cs8Yb4 cuboctahedra, edges with eighteen equivalent Cs(1)Cs8Yb4 cuboctahedra, faces with eight equivalent Yb(1)Cs12 cuboctahedra, and faces with twelve equivalent Cs(1)Cs8Yb4 cuboctahedra. is represented by the CIF card [CIF]
data_Cs3Yb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.137
_cell_length_b   10.137
_cell_length_c   8.130
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   723.450
_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
  Cs  Cs0  1  0.653  0.826  0.250  1.0
  Cs  Cs1  1  0.174  0.347  0.250  1.0
  Cs  Cs2  1  0.174  0.826  0.250  1.0
  Cs  Cs3  1  0.826  0.653  0.750  1.0
  Cs  Cs4  1  0.347  0.174  0.750  1.0
  Cs  Cs5  1  0.826  0.174  0.750  1.0
  Yb  Yb6  1  0.333  0.667  0.750  1.0
  Yb  Yb7  1  0.667  0.333  0.250  1.0
[/CIF]
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The material structure described by Cs3Yb crystallizes in the hexagonal P6_3/mmc space group. Cs(1) is bonded to eight equivalent Cs(1) and four equivalent Yb(1) atoms to form distorted CsCs8Yb4 cuboctahedra that share corners with four equivalent Yb(1)Cs12 cuboctahedra, corners with fourteen equivalent Cs(1)Cs8Yb4 cuboctahedra, edges with six equivalent Yb(1)Cs12 cuboctahedra, edges with twelve equivalent Cs(1)Cs8Yb4 cuboctahedra, faces with four equivalent Yb(1)Cs12 cuboctahedra, and faces with sixteen equivalent Cs(1)Cs8Yb4 cuboctahedra. Yb(1) is bonded to twelve equivalent Cs(1) atoms to form distorted YbCs12 cuboctahedra that share corners with six equivalent Yb(1)Cs12 cuboctahedra, corners with twelve equivalent Cs(1)Cs8Yb4 cuboctahedra, edges with eighteen equivalent Cs(1)Cs8Yb4 cuboctahedra, faces with eight equivalent Yb(1)Cs12 cuboctahedra, and faces with twelve equivalent Cs(1)Cs8Yb4 cuboctahedra. is represented by the CIF card [CIF]
data_Cs3Yb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.137
_cell_length_b   10.137
_cell_length_c   8.130
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   723.450
_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
  Cs  Cs0  1  0.653  0.826  0.250  1.0
  Cs  Cs1  1  0.174  0.347  0.250  1.0
  Cs  Cs2  1  0.174  0.826  0.250  1.0
  Cs  Cs3  1  0.826  0.653  0.750  1.0
  Cs  Cs4  1  0.347  0.174  0.750  1.0
  Cs  Cs5  1  0.826  0.174  0.750  1.0
  Yb  Yb6  1  0.333  0.667  0.750  1.0
  Yb  Yb7  1  0.667  0.333  0.250  1.0
[/CIF]
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