The compound described by Dy4NiB13 crystallizes in the tetragonal P4/mnc space group. Dy(1) is bonded in a 16-coordinate geometry to one Ni(1), one B(1), six equivalent B(2), and eight equivalent B(3) atoms. Ni(1) is bonded to four equivalent Dy(1) and eight equivalent B(3) atoms to form NiDy4B8 cuboctahedra that share corners with four equivalent B(1)Dy4B8 cuboctahedra and faces with two equivalent B(1)Dy4B8 cuboctahedra. There are three inequivalent B sites. In the first B site, B(1) is bonded to four equivalent Dy(1) and eight equivalent B(3) atoms to form BDy4B8 cuboctahedra that share corners with four equivalent Ni(1)Dy4B8 cuboctahedra and faces with two equivalent Ni(1)Dy4B8 cuboctahedra. In the second B site, B(2) is bonded in a 9-coordinate geometry to six equivalent Dy(1), one B(2), and two equivalent B(3) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Dy(1), one Ni(1), one B(1), one B(2), and two equivalent B(3) atoms. is represented by the CIF file [CIF]
data_Dy4NiB13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.317
_cell_length_b   7.317
_cell_length_c   6.907
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   369.807
_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
  Dy  Dy0  1  0.684  0.180  0.500  1.0
  Dy  Dy1  1  0.316  0.820  0.500  1.0
  Dy  Dy2  1  0.184  0.320  0.000  1.0
  Dy  Dy3  1  0.816  0.680  0.000  1.0
  Dy  Dy4  1  0.820  0.684  0.500  1.0
  Dy  Dy5  1  0.180  0.316  0.500  1.0
  Dy  Dy6  1  0.680  0.184  0.000  1.0
  Dy  Dy7  1  0.320  0.816  0.000  1.0
  Ni  Ni8  1  0.500  0.500  0.500  1.0
  Ni  Ni9  1  0.000  0.000  0.000  1.0
  B  B10  1  0.500  0.500  0.000  1.0
  B  B11  1  0.000  0.000  0.500  1.0
  B  B12  1  0.907  0.407  0.250  1.0
  B  B13  1  0.093  0.593  0.250  1.0
  B  B14  1  0.407  0.093  0.750  1.0
  B  B15  1  0.593  0.907  0.750  1.0
  B  B16  1  0.593  0.907  0.250  1.0
  B  B17  1  0.407  0.093  0.250  1.0
  B  B18  1  0.907  0.407  0.750  1.0
  B  B19  1  0.093  0.593  0.750  1.0
  B  B20  1  0.540  0.670  0.243  1.0
  B  B21  1  0.460  0.330  0.243  1.0
  B  B22  1  0.040  0.830  0.743  1.0
  B  B23  1  0.960  0.170  0.743  1.0
  B  B24  1  0.330  0.540  0.243  1.0
  B  B25  1  0.670  0.460  0.243  1.0
  B  B26  1  0.170  0.040  0.743  1.0
  B  B27  1  0.830  0.960  0.743  1.0
  B  B28  1  0.460  0.330  0.757  1.0
  B  B29  1  0.540  0.670  0.757  1.0
  B  B30  1  0.960  0.170  0.257  1.0
  B  B31  1  0.040  0.830  0.257  1.0
  B  B32  1  0.670  0.460  0.757  1.0
  B  B33  1  0.330  0.540  0.757  1.0
  B  B34  1  0.830  0.960  0.257  1.0
  B  B35  1  0.170  0.040  0.257  1.0
[/CIF]
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The compound described by Dy4NiB13 crystallizes in the tetragonal P4/mnc space group. Dy(1) is bonded in a 16-coordinate geometry to one Ni(1), one B(1), six equivalent B(2), and eight equivalent B(3) atoms. Ni(1) is bonded to four equivalent Dy(1) and eight equivalent B(3) atoms to form NiDy4B8 cuboctahedra that share corners with four equivalent B(1)Dy4B8 cuboctahedra and faces with two equivalent B(1)Dy4B8 cuboctahedra. There are three inequivalent B sites. In the first B site, B(1) is bonded to four equivalent Dy(1) and eight equivalent B(3) atoms to form BDy4B8 cuboctahedra that share corners with four equivalent Ni(1)Dy4B8 cuboctahedra and faces with two equivalent Ni(1)Dy4B8 cuboctahedra. In the second B site, B(2) is bonded in a 9-coordinate geometry to six equivalent Dy(1), one B(2), and two equivalent B(3) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to four equivalent Dy(1), one Ni(1), one B(1), one B(2), and two equivalent B(3) atoms. is represented by the CIF file [CIF]
data_Dy4NiB13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.317
_cell_length_b   7.317
_cell_length_c   6.907
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   369.807
_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
  Dy  Dy0  1  0.684  0.180  0.500  1.0
  Dy  Dy1  1  0.316  0.820  0.500  1.0
  Dy  Dy2  1  0.184  0.320  0.000  1.0
  Dy  Dy3  1  0.816  0.680  0.000  1.0
  Dy  Dy4  1  0.820  0.684  0.500  1.0
  Dy  Dy5  1  0.180  0.316  0.500  1.0
  Dy  Dy6  1  0.680  0.184  0.000  1.0
  Dy  Dy7  1  0.320  0.816  0.000  1.0
  Ni  Ni8  1  0.500  0.500  0.500  1.0
  Ni  Ni9  1  0.000  0.000  0.000  1.0
  B  B10  1  0.500  0.500  0.000  1.0
  B  B11  1  0.000  0.000  0.500  1.0
  B  B12  1  0.907  0.407  0.250  1.0
  B  B13  1  0.093  0.593  0.250  1.0
  B  B14  1  0.407  0.093  0.750  1.0
  B  B15  1  0.593  0.907  0.750  1.0
  B  B16  1  0.593  0.907  0.250  1.0
  B  B17  1  0.407  0.093  0.250  1.0
  B  B18  1  0.907  0.407  0.750  1.0
  B  B19  1  0.093  0.593  0.750  1.0
  B  B20  1  0.540  0.670  0.243  1.0
  B  B21  1  0.460  0.330  0.243  1.0
  B  B22  1  0.040  0.830  0.743  1.0
  B  B23  1  0.960  0.170  0.743  1.0
  B  B24  1  0.330  0.540  0.243  1.0
  B  B25  1  0.670  0.460  0.243  1.0
  B  B26  1  0.170  0.040  0.743  1.0
  B  B27  1  0.830  0.960  0.743  1.0
  B  B28  1  0.460  0.330  0.757  1.0
  B  B29  1  0.540  0.670  0.757  1.0
  B  B30  1  0.960  0.170  0.257  1.0
  B  B31  1  0.040  0.830  0.257  1.0
  B  B32  1  0.670  0.460  0.757  1.0
  B  B33  1  0.330  0.540  0.757  1.0
  B  B34  1  0.830  0.960  0.257  1.0
  B  B35  1  0.170  0.040  0.257  1.0
[/CIF]
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