The structure described by Nd2Ni5B4 crystallizes in the monoclinic C2/m space group. Nd(1) is bonded in a 16-coordinate geometry to three equivalent Ni(2), eight equivalent Ni(1), two equivalent B(2), and three equivalent B(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to four equivalent Nd(1), two equivalent B(1), and two equivalent B(2) atoms. In the second Ni site, Ni(2) is bonded in a distorted linear geometry to six equivalent Nd(1) and two equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to three equivalent Nd(1), four equivalent Ni(1), one B(1), and one B(2) atom. In the second B site, B(2) is bonded in a 8-coordinate geometry to two equivalent Nd(1), one Ni(2), four equivalent Ni(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2Ni5B4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.076
_cell_length_b   5.496
_cell_length_c   6.112
_cell_angle_alpha   70.794
_cell_angle_beta   65.468
_cell_angle_gamma   62.498
_symmetry_Int_Tables_number   1
_cell_volume   135.569
_cell_formula_units_Z   1
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
  Nd  Nd0  1  0.726  0.198  0.351  1.0
  Nd  Nd1  1  0.274  0.802  0.649  1.0
  Ni  Ni2  1  0.329  0.720  0.128  1.0
  Ni  Ni3  1  0.671  0.280  0.872  1.0
  Ni  Ni4  1  0.000  0.500  0.500  1.0
  Ni  Ni5  1  0.823  0.720  0.128  1.0
  Ni  Ni6  1  0.177  0.280  0.872  1.0
  B  B7  1  0.599  0.943  0.860  1.0
  B  B8  1  0.401  0.057  0.140  1.0
  B  B9  1  0.221  0.397  0.161  1.0
  B  B10  1  0.779  0.603  0.839  1.0
[/CIF]
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The structure described by Nd2Ni5B4 crystallizes in the monoclinic C2/m space group. Nd(1) is bonded in a 16-coordinate geometry to three equivalent Ni(2), eight equivalent Ni(1), two equivalent B(2), and three equivalent B(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to four equivalent Nd(1), two equivalent B(1), and two equivalent B(2) atoms. In the second Ni site, Ni(2) is bonded in a distorted linear geometry to six equivalent Nd(1) and two equivalent B(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to three equivalent Nd(1), four equivalent Ni(1), one B(1), and one B(2) atom. In the second B site, B(2) is bonded in a 8-coordinate geometry to two equivalent Nd(1), one Ni(2), four equivalent Ni(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2Ni5B4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.076
_cell_length_b   5.496
_cell_length_c   6.112
_cell_angle_alpha   70.794
_cell_angle_beta   65.468
_cell_angle_gamma   62.498
_symmetry_Int_Tables_number   1
_cell_volume   135.569
_cell_formula_units_Z   1
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
  Nd  Nd0  1  0.726  0.198  0.351  1.0
  Nd  Nd1  1  0.274  0.802  0.649  1.0
  Ni  Ni2  1  0.329  0.720  0.128  1.0
  Ni  Ni3  1  0.671  0.280  0.872  1.0
  Ni  Ni4  1  0.000  0.500  0.500  1.0
  Ni  Ni5  1  0.823  0.720  0.128  1.0
  Ni  Ni6  1  0.177  0.280  0.872  1.0
  B  B7  1  0.599  0.943  0.860  1.0
  B  B8  1  0.401  0.057  0.140  1.0
  B  B9  1  0.221  0.397  0.161  1.0
  B  B10  1  0.779  0.603  0.839  1.0
[/CIF]
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