The structure described by YbB4 crystallizes in the tetragonal P4/mbm space group. Yb(1) is bonded in a 18-coordinate geometry to four equivalent B(1), six equivalent B(2), and eight equivalent B(3) atoms. There are three inequivalent B sites. In the first B site, B(2) is bonded in a distorted trigonal planar geometry to six equivalent Yb(1), one B(2), and two equivalent B(3) atoms. In the second B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Yb(1), one B(1), and four equivalent B(3) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Yb(1), one B(2), two equivalent B(1), and two equivalent B(3) atoms. is represented by the CIF card [CIF]
data_YbB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.046
_cell_length_b   7.101
_cell_length_c   7.101
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   204.023
_cell_formula_units_Z   4
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  0.000  0.312  0.812  1.0
  Yb  Yb1  1  0.000  0.688  0.188  1.0
  Yb  Yb2  1  0.000  0.188  0.312  1.0
  Yb  Yb3  1  0.000  0.812  0.688  1.0
  B  B4  1  0.795  0.500  0.500  1.0
  B  B5  1  0.795  0.000  0.000  1.0
  B  B6  1  0.205  0.500  0.500  1.0
  B  B7  1  0.205  0.000  0.000  1.0
  B  B8  1  0.500  0.585  0.915  1.0
  B  B9  1  0.500  0.415  0.085  1.0
  B  B10  1  0.500  0.915  0.415  1.0
  B  B11  1  0.500  0.085  0.585  1.0
  B  B12  1  0.500  0.536  0.676  1.0
  B  B13  1  0.500  0.464  0.324  1.0
  B  B14  1  0.500  0.964  0.176  1.0
  B  B15  1  0.500  0.036  0.824  1.0
  B  B16  1  0.500  0.676  0.464  1.0
  B  B17  1  0.500  0.324  0.536  1.0
  B  B18  1  0.500  0.176  0.036  1.0
  B  B19  1  0.500  0.824  0.964  1.0
[/CIF]
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The structure described by YbB4 crystallizes in the tetragonal P4/mbm space group. Yb(1) is bonded in a 18-coordinate geometry to four equivalent B(1), six equivalent B(2), and eight equivalent B(3) atoms. There are three inequivalent B sites. In the first B site, B(2) is bonded in a distorted trigonal planar geometry to six equivalent Yb(1), one B(2), and two equivalent B(3) atoms. In the second B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Yb(1), one B(1), and four equivalent B(3) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Yb(1), one B(2), two equivalent B(1), and two equivalent B(3) atoms. is represented by the CIF card [CIF]
data_YbB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.046
_cell_length_b   7.101
_cell_length_c   7.101
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   204.023
_cell_formula_units_Z   4
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  0.000  0.312  0.812  1.0
  Yb  Yb1  1  0.000  0.688  0.188  1.0
  Yb  Yb2  1  0.000  0.188  0.312  1.0
  Yb  Yb3  1  0.000  0.812  0.688  1.0
  B  B4  1  0.795  0.500  0.500  1.0
  B  B5  1  0.795  0.000  0.000  1.0
  B  B6  1  0.205  0.500  0.500  1.0
  B  B7  1  0.205  0.000  0.000  1.0
  B  B8  1  0.500  0.585  0.915  1.0
  B  B9  1  0.500  0.415  0.085  1.0
  B  B10  1  0.500  0.915  0.415  1.0
  B  B11  1  0.500  0.085  0.585  1.0
  B  B12  1  0.500  0.536  0.676  1.0
  B  B13  1  0.500  0.464  0.324  1.0
  B  B14  1  0.500  0.964  0.176  1.0
  B  B15  1  0.500  0.036  0.824  1.0
  B  B16  1  0.500  0.676  0.464  1.0
  B  B17  1  0.500  0.324  0.536  1.0
  B  B18  1  0.500  0.176  0.036  1.0
  B  B19  1  0.500  0.824  0.964  1.0
[/CIF]
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