The material structure described by Yb3Cr is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 4-coordinate geometry to four equivalent Yb(2) and four equivalent Cr(1) atoms. In the second Yb site, Yb(2) is bonded to eight equivalent Yb(1) and four equivalent Cr(1) atoms to form YbYb8Cr4 cuboctahedra that share corners with four equivalent Yb(2)Yb8Cr4 cuboctahedra, corners with eight equivalent Cr(1)Yb12 cuboctahedra, edges with eight equivalent Yb(2)Yb8Cr4 cuboctahedra, faces with four equivalent Yb(2)Yb8Cr4 cuboctahedra, and faces with six equivalent Cr(1)Yb12 cuboctahedra. Cr(1) is bonded to four equivalent Yb(2) and eight equivalent Yb(1) atoms to form CrYb12 cuboctahedra that share corners with four equivalent Cr(1)Yb12 cuboctahedra, corners with eight equivalent Yb(2)Yb8Cr4 cuboctahedra, edges with eight equivalent Cr(1)Yb12 cuboctahedra, faces with four equivalent Cr(1)Yb12 cuboctahedra, and faces with six equivalent Yb(2)Yb8Cr4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb3Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.941
_cell_length_b   5.941
_cell_length_c   5.941
_cell_angle_alpha   128.180
_cell_angle_beta   128.180
_cell_angle_gamma   76.333
_symmetry_Int_Tables_number   1
_cell_volume   125.918
_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  0.750  0.250  0.500  1.0
  Yb  Yb1  1  0.250  0.750  0.500  1.0
  Yb  Yb2  1  0.500  0.500  0.000  1.0
  Cr  Cr3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Yb3Cr is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 4-coordinate geometry to four equivalent Yb(2) and four equivalent Cr(1) atoms. In the second Yb site, Yb(2) is bonded to eight equivalent Yb(1) and four equivalent Cr(1) atoms to form YbYb8Cr4 cuboctahedra that share corners with four equivalent Yb(2)Yb8Cr4 cuboctahedra, corners with eight equivalent Cr(1)Yb12 cuboctahedra, edges with eight equivalent Yb(2)Yb8Cr4 cuboctahedra, faces with four equivalent Yb(2)Yb8Cr4 cuboctahedra, and faces with six equivalent Cr(1)Yb12 cuboctahedra. Cr(1) is bonded to four equivalent Yb(2) and eight equivalent Yb(1) atoms to form CrYb12 cuboctahedra that share corners with four equivalent Cr(1)Yb12 cuboctahedra, corners with eight equivalent Yb(2)Yb8Cr4 cuboctahedra, edges with eight equivalent Cr(1)Yb12 cuboctahedra, faces with four equivalent Cr(1)Yb12 cuboctahedra, and faces with six equivalent Yb(2)Yb8Cr4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb3Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.941
_cell_length_b   5.941
_cell_length_c   5.941
_cell_angle_alpha   128.180
_cell_angle_beta   128.180
_cell_angle_gamma   76.333
_symmetry_Int_Tables_number   1
_cell_volume   125.918
_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  0.750  0.250  0.500  1.0
  Yb  Yb1  1  0.250  0.750  0.500  1.0
  Yb  Yb2  1  0.500  0.500  0.000  1.0
  Cr  Cr3  1  0.000  0.000  0.000  1.0
[/CIF]
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