The crystal structure described by DyNi4B crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a distorted hexagonal planar geometry to six equivalent Ni(1) atoms. In the second Dy site, Dy(2) is bonded in a 18-coordinate geometry to four equivalent Ni(2), eight equivalent Ni(3), and six equivalent B(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 12-coordinate geometry to three equivalent Dy(1), two equivalent Ni(2), three equivalent Ni(1), and four equivalent Ni(3) atoms. In the second Ni site, Ni(2) is bonded in a distorted L-shaped geometry to two equivalent Dy(2), two equivalent Ni(1), and two equivalent B(1) atoms. In the third Ni site, Ni(3) is bonded in a distorted L-shaped geometry to two equivalent Dy(2), two equivalent Ni(1), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Dy(2), two equivalent Ni(2), and four equivalent Ni(3) atoms. is represented by the CIF file [CIF]
data_DyNi4B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.981
_cell_length_b   4.992
_cell_length_c   6.956
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.923
_symmetry_Int_Tables_number   1
_cell_volume   149.904
_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  0.500  0.000  0.000  1.0
  Dy  Dy1  1  0.500  0.000  0.500  1.0
  Ni  Ni2  1  0.833  0.667  0.000  1.0
  Ni  Ni3  1  0.167  0.333  0.000  1.0
  Ni  Ni4  1  0.000  0.000  0.707  1.0
  Ni  Ni5  1  0.500  0.500  0.707  1.0
  Ni  Ni6  1  0.000  0.500  0.707  1.0
  Ni  Ni7  1  0.000  0.000  0.293  1.0
  Ni  Ni8  1  0.500  0.500  0.293  1.0
  Ni  Ni9  1  0.000  0.500  0.293  1.0
  B  B10  1  0.833  0.667  0.500  1.0
  B  B11  1  0.167  0.333  0.500  1.0
[/CIF]
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The crystal structure described by DyNi4B crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a distorted hexagonal planar geometry to six equivalent Ni(1) atoms. In the second Dy site, Dy(2) is bonded in a 18-coordinate geometry to four equivalent Ni(2), eight equivalent Ni(3), and six equivalent B(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 12-coordinate geometry to three equivalent Dy(1), two equivalent Ni(2), three equivalent Ni(1), and four equivalent Ni(3) atoms. In the second Ni site, Ni(2) is bonded in a distorted L-shaped geometry to two equivalent Dy(2), two equivalent Ni(1), and two equivalent B(1) atoms. In the third Ni site, Ni(3) is bonded in a distorted L-shaped geometry to two equivalent Dy(2), two equivalent Ni(1), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Dy(2), two equivalent Ni(2), and four equivalent Ni(3) atoms. is represented by the CIF file [CIF]
data_DyNi4B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.981
_cell_length_b   4.992
_cell_length_c   6.956
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.923
_symmetry_Int_Tables_number   1
_cell_volume   149.904
_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  0.500  0.000  0.000  1.0
  Dy  Dy1  1  0.500  0.000  0.500  1.0
  Ni  Ni2  1  0.833  0.667  0.000  1.0
  Ni  Ni3  1  0.167  0.333  0.000  1.0
  Ni  Ni4  1  0.000  0.000  0.707  1.0
  Ni  Ni5  1  0.500  0.500  0.707  1.0
  Ni  Ni6  1  0.000  0.500  0.707  1.0
  Ni  Ni7  1  0.000  0.000  0.293  1.0
  Ni  Ni8  1  0.500  0.500  0.293  1.0
  Ni  Ni9  1  0.000  0.500  0.293  1.0
  B  B10  1  0.833  0.667  0.500  1.0
  B  B11  1  0.167  0.333  0.500  1.0
[/CIF]
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