The crystal structure described by YbAlB4 crystallizes in the orthorhombic Cmmm space group. Yb(1) is bonded in a 14-coordinate geometry to two equivalent B(3), four equivalent B(2), and eight equivalent B(1) atoms. Al(1) is bonded in a 10-coordinate geometry to two equivalent B(2), four equivalent B(1), and four equivalent B(3) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Yb(1), two equivalent Al(1), one B(1), one B(2), and one B(3) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Yb(1), two equivalent Al(1), one B(2), and two equivalent B(1) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Yb(1), four equivalent Al(1), one B(3), and two equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbAlB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.995
_cell_length_b   5.995
_cell_length_c   3.472
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   103.972
_symmetry_Int_Tables_number   1
_cell_volume   121.103
_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  0.301  0.699  0.000  1.0
  Yb  Yb1  1  0.699  0.301  0.000  1.0
  Al  Al2  1  0.183  0.183  0.000  1.0
  Al  Al3  1  0.817  0.817  0.000  1.0
  B  B4  1  0.381  0.063  0.500  1.0
  B  B5  1  0.619  0.937  0.500  1.0
  B  B6  1  0.063  0.381  0.500  1.0
  B  B7  1  0.937  0.619  0.500  1.0
  B  B8  1  0.622  0.622  0.500  1.0
  B  B9  1  0.378  0.378  0.500  1.0
  B  B10  1  0.092  0.908  0.500  1.0
  B  B11  1  0.908  0.092  0.500  1.0
[/CIF]
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The crystal structure described by YbAlB4 crystallizes in the orthorhombic Cmmm space group. Yb(1) is bonded in a 14-coordinate geometry to two equivalent B(3), four equivalent B(2), and eight equivalent B(1) atoms. Al(1) is bonded in a 10-coordinate geometry to two equivalent B(2), four equivalent B(1), and four equivalent B(3) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Yb(1), two equivalent Al(1), one B(1), one B(2), and one B(3) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Yb(1), two equivalent Al(1), one B(2), and two equivalent B(1) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to two equivalent Yb(1), four equivalent Al(1), one B(3), and two equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbAlB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.995
_cell_length_b   5.995
_cell_length_c   3.472
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   103.972
_symmetry_Int_Tables_number   1
_cell_volume   121.103
_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  0.301  0.699  0.000  1.0
  Yb  Yb1  1  0.699  0.301  0.000  1.0
  Al  Al2  1  0.183  0.183  0.000  1.0
  Al  Al3  1  0.817  0.817  0.000  1.0
  B  B4  1  0.381  0.063  0.500  1.0
  B  B5  1  0.619  0.937  0.500  1.0
  B  B6  1  0.063  0.381  0.500  1.0
  B  B7  1  0.937  0.619  0.500  1.0
  B  B8  1  0.622  0.622  0.500  1.0
  B  B9  1  0.378  0.378  0.500  1.0
  B  B10  1  0.092  0.908  0.500  1.0
  B  B11  1  0.908  0.092  0.500  1.0
[/CIF]
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