The material structure described by Ho4NiB14 crystallizes in the tetragonal P4/mnc space group. Ho(1) is bonded in a 17-coordinate geometry to one Ni(1), two equivalent B(3), six equivalent B(2), and eight equivalent B(1) atoms. Ni(1) is bonded in a cuboctahedral geometry to four equivalent Ho(1) and eight equivalent B(1) atoms. There are three inequivalent B sites. In the first B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Ho(1), one B(3), and four equivalent B(1) atoms. In the second B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Ho(1), one Ni(1), one B(2), one B(3), and two equivalent B(1) atoms. In the third B site, B(2) is bonded in a 9-coordinate geometry to six equivalent Ho(1), one B(2), and two equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ho4NiB14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.200
_cell_length_b   7.200
_cell_length_c   7.444
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   385.850
_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
  Ho  Ho0  1  0.194  0.331  0.000  1.0
  Ho  Ho1  1  0.669  0.194  0.000  1.0
  Ho  Ho2  1  0.331  0.806  0.000  1.0
  Ho  Ho3  1  0.694  0.169  0.500  1.0
  Ho  Ho4  1  0.306  0.831  0.500  1.0
  Ho  Ho5  1  0.806  0.669  0.000  1.0
  Ho  Ho6  1  0.831  0.694  0.500  1.0
  Ho  Ho7  1  0.169  0.306  0.500  1.0
  Ni  Ni8  1  0.000  0.000  0.000  1.0
  Ni  Ni9  1  0.500  0.500  0.500  1.0
  B  B10  1  0.174  0.039  0.231  1.0
  B  B11  1  0.961  0.174  0.231  1.0
  B  B12  1  0.039  0.826  0.231  1.0
  B  B13  1  0.674  0.461  0.269  1.0
  B  B14  1  0.326  0.539  0.269  1.0
  B  B15  1  0.826  0.961  0.231  1.0
  B  B16  1  0.539  0.674  0.269  1.0
  B  B17  1  0.461  0.326  0.269  1.0
  B  B18  1  0.826  0.961  0.769  1.0
  B  B19  1  0.039  0.826  0.769  1.0
  B  B20  1  0.961  0.174  0.769  1.0
  B  B21  1  0.326  0.539  0.731  1.0
  B  B22  1  0.674  0.461  0.731  1.0
  B  B23  1  0.174  0.039  0.769  1.0
  B  B24  1  0.461  0.326  0.731  1.0
  B  B25  1  0.539  0.674  0.731  1.0
  B  B26  1  0.089  0.589  0.250  1.0
  B  B27  1  0.411  0.089  0.250  1.0
  B  B28  1  0.589  0.911  0.250  1.0
  B  B29  1  0.911  0.411  0.250  1.0
  B  B30  1  0.911  0.411  0.750  1.0
  B  B31  1  0.589  0.911  0.750  1.0
  B  B32  1  0.411  0.089  0.750  1.0
  B  B33  1  0.089  0.589  0.750  1.0
  B  B34  1  0.000  0.000  0.389  1.0
  B  B35  1  0.500  0.500  0.111  1.0
  B  B36  1  0.000  0.000  0.611  1.0
  B  B37  1  0.500  0.500  0.889  1.0
[/CIF]
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The material structure described by Ho4NiB14 crystallizes in the tetragonal P4/mnc space group. Ho(1) is bonded in a 17-coordinate geometry to one Ni(1), two equivalent B(3), six equivalent B(2), and eight equivalent B(1) atoms. Ni(1) is bonded in a cuboctahedral geometry to four equivalent Ho(1) and eight equivalent B(1) atoms. There are three inequivalent B sites. In the first B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Ho(1), one B(3), and four equivalent B(1) atoms. In the second B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Ho(1), one Ni(1), one B(2), one B(3), and two equivalent B(1) atoms. In the third B site, B(2) is bonded in a 9-coordinate geometry to six equivalent Ho(1), one B(2), and two equivalent B(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ho4NiB14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.200
_cell_length_b   7.200
_cell_length_c   7.444
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   385.850
_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
  Ho  Ho0  1  0.194  0.331  0.000  1.0
  Ho  Ho1  1  0.669  0.194  0.000  1.0
  Ho  Ho2  1  0.331  0.806  0.000  1.0
  Ho  Ho3  1  0.694  0.169  0.500  1.0
  Ho  Ho4  1  0.306  0.831  0.500  1.0
  Ho  Ho5  1  0.806  0.669  0.000  1.0
  Ho  Ho6  1  0.831  0.694  0.500  1.0
  Ho  Ho7  1  0.169  0.306  0.500  1.0
  Ni  Ni8  1  0.000  0.000  0.000  1.0
  Ni  Ni9  1  0.500  0.500  0.500  1.0
  B  B10  1  0.174  0.039  0.231  1.0
  B  B11  1  0.961  0.174  0.231  1.0
  B  B12  1  0.039  0.826  0.231  1.0
  B  B13  1  0.674  0.461  0.269  1.0
  B  B14  1  0.326  0.539  0.269  1.0
  B  B15  1  0.826  0.961  0.231  1.0
  B  B16  1  0.539  0.674  0.269  1.0
  B  B17  1  0.461  0.326  0.269  1.0
  B  B18  1  0.826  0.961  0.769  1.0
  B  B19  1  0.039  0.826  0.769  1.0
  B  B20  1  0.961  0.174  0.769  1.0
  B  B21  1  0.326  0.539  0.731  1.0
  B  B22  1  0.674  0.461  0.731  1.0
  B  B23  1  0.174  0.039  0.769  1.0
  B  B24  1  0.461  0.326  0.731  1.0
  B  B25  1  0.539  0.674  0.731  1.0
  B  B26  1  0.089  0.589  0.250  1.0
  B  B27  1  0.411  0.089  0.250  1.0
  B  B28  1  0.589  0.911  0.250  1.0
  B  B29  1  0.911  0.411  0.250  1.0
  B  B30  1  0.911  0.411  0.750  1.0
  B  B31  1  0.589  0.911  0.750  1.0
  B  B32  1  0.411  0.089  0.750  1.0
  B  B33  1  0.089  0.589  0.750  1.0
  B  B34  1  0.000  0.000  0.389  1.0
  B  B35  1  0.500  0.500  0.111  1.0
  B  B36  1  0.000  0.000  0.611  1.0
  B  B37  1  0.500  0.500  0.889  1.0
[/CIF]
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