The material described by HoAlB4 crystallizes in the orthorhombic Pbam space group. Ho(1) is bonded in a 14-coordinate geometry to two equivalent B(1), four equivalent B(2), four equivalent B(3), and four equivalent B(4) atoms. Al(1) is bonded in a 10-coordinate geometry to two equivalent B(2), two equivalent B(3), two equivalent B(4), and four equivalent B(1) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Ho(1), four 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 Ho(1), two equivalent Al(1), one B(1), one B(2), and one B(4) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Ho(1), two equivalent Al(1), one B(1), and two equivalent B(4) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to four equivalent Ho(1), two equivalent Al(1), one B(2), and two equivalent B(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_HoAlB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.540
_cell_length_b   5.932
_cell_length_c   11.503
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   241.540
_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
  Ho  Ho0  1  0.500  0.371  0.150  1.0
  Ho  Ho1  1  0.500  0.629  0.850  1.0
  Ho  Ho2  1  0.500  0.129  0.650  1.0
  Ho  Ho3  1  0.500  0.871  0.350  1.0
  Al  Al4  1  0.500  0.363  0.410  1.0
  Al  Al5  1  0.500  0.637  0.590  1.0
  Al  Al6  1  0.500  0.137  0.910  1.0
  Al  Al7  1  0.500  0.863  0.090  1.0
  B  B8  1  0.000  0.114  0.047  1.0
  B  B9  1  0.000  0.886  0.953  1.0
  B  B10  1  0.000  0.386  0.547  1.0
  B  B11  1  0.000  0.614  0.453  1.0
  B  B12  1  0.000  0.134  0.469  1.0
  B  B13  1  0.000  0.866  0.531  1.0
  B  B14  1  0.000  0.366  0.969  1.0
  B  B15  1  0.000  0.634  0.031  1.0
  B  B16  1  0.000  0.027  0.192  1.0
  B  B17  1  0.000  0.973  0.808  1.0
  B  B18  1  0.000  0.473  0.692  1.0
  B  B19  1  0.000  0.527  0.308  1.0
  B  B20  1  0.000  0.211  0.313  1.0
  B  B21  1  0.000  0.789  0.687  1.0
  B  B22  1  0.000  0.289  0.813  1.0
  B  B23  1  0.000  0.711  0.187  1.0
[/CIF]
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The material described by HoAlB4 crystallizes in the orthorhombic Pbam space group. Ho(1) is bonded in a 14-coordinate geometry to two equivalent B(1), four equivalent B(2), four equivalent B(3), and four equivalent B(4) atoms. Al(1) is bonded in a 10-coordinate geometry to two equivalent B(2), two equivalent B(3), two equivalent B(4), and four equivalent B(1) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Ho(1), four 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 Ho(1), two equivalent Al(1), one B(1), one B(2), and one B(4) atom. In the third B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Ho(1), two equivalent Al(1), one B(1), and two equivalent B(4) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to four equivalent Ho(1), two equivalent Al(1), one B(2), and two equivalent B(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_HoAlB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.540
_cell_length_b   5.932
_cell_length_c   11.503
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   241.540
_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
  Ho  Ho0  1  0.500  0.371  0.150  1.0
  Ho  Ho1  1  0.500  0.629  0.850  1.0
  Ho  Ho2  1  0.500  0.129  0.650  1.0
  Ho  Ho3  1  0.500  0.871  0.350  1.0
  Al  Al4  1  0.500  0.363  0.410  1.0
  Al  Al5  1  0.500  0.637  0.590  1.0
  Al  Al6  1  0.500  0.137  0.910  1.0
  Al  Al7  1  0.500  0.863  0.090  1.0
  B  B8  1  0.000  0.114  0.047  1.0
  B  B9  1  0.000  0.886  0.953  1.0
  B  B10  1  0.000  0.386  0.547  1.0
  B  B11  1  0.000  0.614  0.453  1.0
  B  B12  1  0.000  0.134  0.469  1.0
  B  B13  1  0.000  0.866  0.531  1.0
  B  B14  1  0.000  0.366  0.969  1.0
  B  B15  1  0.000  0.634  0.031  1.0
  B  B16  1  0.000  0.027  0.192  1.0
  B  B17  1  0.000  0.973  0.808  1.0
  B  B18  1  0.000  0.473  0.692  1.0
  B  B19  1  0.000  0.527  0.308  1.0
  B  B20  1  0.000  0.211  0.313  1.0
  B  B21  1  0.000  0.789  0.687  1.0
  B  B22  1  0.000  0.289  0.813  1.0
  B  B23  1  0.000  0.711  0.187  1.0
[/CIF]
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