The material structure described by Y(Ni2B)6 crystallizes in the orthorhombic Cmc2_1 space group. Y(1) is bonded in a 24-coordinate geometry to one Ni(1), one Ni(2), two equivalent Ni(3), two equivalent Ni(7), four equivalent Ni(4), four equivalent Ni(5), four equivalent Ni(6), one B(1), one B(2), two equivalent B(3), and two equivalent B(4) atoms. There are seven inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 3-coordinate geometry to one Y(1), one B(1), and two equivalent B(3) atoms. In the second Ni site, Ni(2) is bonded in a distorted T-shaped geometry to one Y(1), one B(2), and two equivalent B(4) atoms. In the third Ni site, Ni(3) is bonded to one Y(1), one B(1), one B(2), one B(3), and one B(4) atom to form distorted face-sharing NiYB4 tetrahedra. In the fourth Ni site, Ni(4) is bonded in a 3-coordinate geometry to two equivalent Y(1), one B(1), one B(3), and one B(4) atom. In the fifth Ni site, Ni(5) is bonded in a 4-coordinate geometry to two equivalent Y(1), one B(2), one B(3), and two equivalent B(4) atoms. In the sixth Ni site, Ni(6) is bonded in a 4-coordinate geometry to two equivalent Y(1), one B(1), one B(4), and two equivalent B(3) atoms. In the seventh Ni site, Ni(7) is bonded in a 3-coordinate geometry to one Y(1), one B(2), one B(3), and one B(4) atom. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 8-coordinate geometry to one Y(1), one Ni(1), two equivalent Ni(3), two equivalent Ni(4), and two equivalent Ni(6) atoms. In the second B site, B(2) is bonded in a 7-coordinate geometry to one Y(1), one Ni(2), two equivalent Ni(3), two equivalent Ni(5), and two equivalent Ni(7) atoms. In the third B site, B(3) is bonded in a 7-coordinate geometry to one Y(1), one Ni(1), one Ni(3), one Ni(4), one Ni(5), one Ni(7), and two equivalent Ni(6) atoms. In the fourth B site, B(4) is bonded in a 7-coordinate geometry to one Y(1), one Ni(2), one Ni(3), one Ni(4), one Ni(6), one Ni(7), and two equivalent Ni(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y(Ni2B)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.977
_cell_length_b   5.977
_cell_length_c   10.916
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   104.717
_symmetry_Int_Tables_number   1
_cell_volume   377.162
_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
  Y  Y0  1  0.833  0.833  0.496  1.0
  Y  Y1  1  0.167  0.167  0.996  1.0
  Ni  Ni2  1  0.567  0.567  0.918  1.0
  Ni  Ni3  1  0.433  0.433  0.418  1.0
  Ni  Ni4  1  0.780  0.780  0.099  1.0
  Ni  Ni5  1  0.220  0.220  0.599  1.0
  Ni  Ni6  1  0.543  0.805  0.734  1.0
  Ni  Ni7  1  0.805  0.543  0.734  1.0
  Ni  Ni8  1  0.457  0.195  0.234  1.0
  Ni  Ni9  1  0.195  0.457  0.234  1.0
  Ni  Ni10  1  0.146  0.881  0.756  1.0
  Ni  Ni11  1  0.881  0.146  0.756  1.0
  Ni  Ni12  1  0.854  0.119  0.256  1.0
  Ni  Ni13  1  0.119  0.854  0.256  1.0
  Ni  Ni14  1  0.657  0.271  0.568  1.0
  Ni  Ni15  1  0.271  0.657  0.568  1.0
  Ni  Ni16  1  0.343  0.729  0.068  1.0
  Ni  Ni17  1  0.729  0.343  0.068  1.0
  Ni  Ni18  1  0.631  0.996  0.938  1.0
  Ni  Ni19  1  0.996  0.631  0.938  1.0
  Ni  Ni20  1  0.369  0.004  0.438  1.0
  Ni  Ni21  1  0.004  0.369  0.438  1.0
  Ni  Ni22  1  0.474  0.212  0.776  1.0
  Ni  Ni23  1  0.212  0.474  0.776  1.0
  Ni  Ni24  1  0.526  0.788  0.276  1.0
  Ni  Ni25  1  0.788  0.526  0.276  1.0
  B  B26  1  0.837  0.837  0.837  1.0
  B  B27  1  0.163  0.163  0.337  1.0
  B  B28  1  0.488  0.488  0.656  1.0
  B  B29  1  0.512  0.512  0.156  1.0
  B  B30  1  0.326  0.757  0.885  1.0
  B  B31  1  0.757  0.326  0.885  1.0
  B  B32  1  0.674  0.243  0.385  1.0
  B  B33  1  0.243  0.674  0.385  1.0
  B  B34  1  0.401  0.987  0.622  1.0
  B  B35  1  0.987  0.401  0.622  1.0
  B  B36  1  0.599  0.013  0.122  1.0
  B  B37  1  0.013  0.599  0.122  1.0
[/CIF]
.
The material structure described by Y(Ni2B)6 crystallizes in the orthorhombic Cmc2_1 space group. Y(1) is bonded in a 24-coordinate geometry to one Ni(1), one Ni(2), two equivalent Ni(3), two equivalent Ni(7), four equivalent Ni(4), four equivalent Ni(5), four equivalent Ni(6), one B(1), one B(2), two equivalent B(3), and two equivalent B(4) atoms. There are seven inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 3-coordinate geometry to one Y(1), one B(1), and two equivalent B(3) atoms. In the second Ni site, Ni(2) is bonded in a distorted T-shaped geometry to one Y(1), one B(2), and two equivalent B(4) atoms. In the third Ni site, Ni(3) is bonded to one Y(1), one B(1), one B(2), one B(3), and one B(4) atom to form distorted face-sharing NiYB4 tetrahedra. In the fourth Ni site, Ni(4) is bonded in a 3-coordinate geometry to two equivalent Y(1), one B(1), one B(3), and one B(4) atom. In the fifth Ni site, Ni(5) is bonded in a 4-coordinate geometry to two equivalent Y(1), one B(2), one B(3), and two equivalent B(4) atoms. In the sixth Ni site, Ni(6) is bonded in a 4-coordinate geometry to two equivalent Y(1), one B(1), one B(4), and two equivalent B(3) atoms. In the seventh Ni site, Ni(7) is bonded in a 3-coordinate geometry to one Y(1), one B(2), one B(3), and one B(4) atom. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 8-coordinate geometry to one Y(1), one Ni(1), two equivalent Ni(3), two equivalent Ni(4), and two equivalent Ni(6) atoms. In the second B site, B(2) is bonded in a 7-coordinate geometry to one Y(1), one Ni(2), two equivalent Ni(3), two equivalent Ni(5), and two equivalent Ni(7) atoms. In the third B site, B(3) is bonded in a 7-coordinate geometry to one Y(1), one Ni(1), one Ni(3), one Ni(4), one Ni(5), one Ni(7), and two equivalent Ni(6) atoms. In the fourth B site, B(4) is bonded in a 7-coordinate geometry to one Y(1), one Ni(2), one Ni(3), one Ni(4), one Ni(6), one Ni(7), and two equivalent Ni(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y(Ni2B)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.977
_cell_length_b   5.977
_cell_length_c   10.916
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   104.717
_symmetry_Int_Tables_number   1
_cell_volume   377.162
_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
  Y  Y0  1  0.833  0.833  0.496  1.0
  Y  Y1  1  0.167  0.167  0.996  1.0
  Ni  Ni2  1  0.567  0.567  0.918  1.0
  Ni  Ni3  1  0.433  0.433  0.418  1.0
  Ni  Ni4  1  0.780  0.780  0.099  1.0
  Ni  Ni5  1  0.220  0.220  0.599  1.0
  Ni  Ni6  1  0.543  0.805  0.734  1.0
  Ni  Ni7  1  0.805  0.543  0.734  1.0
  Ni  Ni8  1  0.457  0.195  0.234  1.0
  Ni  Ni9  1  0.195  0.457  0.234  1.0
  Ni  Ni10  1  0.146  0.881  0.756  1.0
  Ni  Ni11  1  0.881  0.146  0.756  1.0
  Ni  Ni12  1  0.854  0.119  0.256  1.0
  Ni  Ni13  1  0.119  0.854  0.256  1.0
  Ni  Ni14  1  0.657  0.271  0.568  1.0
  Ni  Ni15  1  0.271  0.657  0.568  1.0
  Ni  Ni16  1  0.343  0.729  0.068  1.0
  Ni  Ni17  1  0.729  0.343  0.068  1.0
  Ni  Ni18  1  0.631  0.996  0.938  1.0
  Ni  Ni19  1  0.996  0.631  0.938  1.0
  Ni  Ni20  1  0.369  0.004  0.438  1.0
  Ni  Ni21  1  0.004  0.369  0.438  1.0
  Ni  Ni22  1  0.474  0.212  0.776  1.0
  Ni  Ni23  1  0.212  0.474  0.776  1.0
  Ni  Ni24  1  0.526  0.788  0.276  1.0
  Ni  Ni25  1  0.788  0.526  0.276  1.0
  B  B26  1  0.837  0.837  0.837  1.0
  B  B27  1  0.163  0.163  0.337  1.0
  B  B28  1  0.488  0.488  0.656  1.0
  B  B29  1  0.512  0.512  0.156  1.0
  B  B30  1  0.326  0.757  0.885  1.0
  B  B31  1  0.757  0.326  0.885  1.0
  B  B32  1  0.674  0.243  0.385  1.0
  B  B33  1  0.243  0.674  0.385  1.0
  B  B34  1  0.401  0.987  0.622  1.0
  B  B35  1  0.987  0.401  0.622  1.0
  B  B36  1  0.599  0.013  0.122  1.0
  B  B37  1  0.013  0.599  0.122  1.0
[/CIF]
.