The crystal structure described by La2Ni5B4 crystallizes in the monoclinic C2/m space group. La(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 La(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 La(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 La(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 La(1), one Ni(2), four equivalent Ni(1), and one B(1) atom. is represented by the CIF card [CIF]
data_La2Ni5B4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.121
_cell_length_b   5.507
_cell_length_c   6.202
_cell_angle_alpha   70.507
_cell_angle_beta   65.618
_cell_angle_gamma   62.294
_symmetry_Int_Tables_number   1
_cell_volume   138.857
_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
  La  La0  1  0.725  0.197  0.353  1.0
  La  La1  1  0.275  0.803  0.647  1.0
  Ni  Ni2  1  0.330  0.719  0.126  1.0
  Ni  Ni3  1  0.670  0.281  0.874  1.0
  Ni  Ni4  1  0.000  0.500  0.500  1.0
  Ni  Ni5  1  0.825  0.719  0.126  1.0
  Ni  Ni6  1  0.175  0.281  0.874  1.0
  B  B7  1  0.597  0.941  0.865  1.0
  B  B8  1  0.403  0.059  0.135  1.0
  B  B9  1  0.221  0.398  0.159  1.0
  B  B10  1  0.779  0.602  0.841  1.0
[/CIF]
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The crystal structure described by La2Ni5B4 crystallizes in the monoclinic C2/m space group. La(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 La(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 La(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 La(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 La(1), one Ni(2), four equivalent Ni(1), and one B(1) atom. is represented by the CIF card [CIF]
data_La2Ni5B4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.121
_cell_length_b   5.507
_cell_length_c   6.202
_cell_angle_alpha   70.507
_cell_angle_beta   65.618
_cell_angle_gamma   62.294
_symmetry_Int_Tables_number   1
_cell_volume   138.857
_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
  La  La0  1  0.725  0.197  0.353  1.0
  La  La1  1  0.275  0.803  0.647  1.0
  Ni  Ni2  1  0.330  0.719  0.126  1.0
  Ni  Ni3  1  0.670  0.281  0.874  1.0
  Ni  Ni4  1  0.000  0.500  0.500  1.0
  Ni  Ni5  1  0.825  0.719  0.126  1.0
  Ni  Ni6  1  0.175  0.281  0.874  1.0
  B  B7  1  0.597  0.941  0.865  1.0
  B  B8  1  0.403  0.059  0.135  1.0
  B  B9  1  0.221  0.398  0.159  1.0
  B  B10  1  0.779  0.602  0.841  1.0
[/CIF]
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