The material described by Tb(Ni2B)6 crystallizes in the orthorhombic Cmc2_1 space group. Tb(1) is bonded in a 24-coordinate geometry to one Ni(3), one Ni(5), two equivalent Ni(4), two equivalent Ni(7), four equivalent Ni(1), four equivalent Ni(2), four equivalent Ni(6), one B(3), one B(4), two equivalent B(1), and two equivalent B(2) atoms. There are seven inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to two equivalent Tb(1), one B(1), one B(4), and two equivalent B(2) atoms. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to two equivalent Tb(1), one B(2), one B(3), and two equivalent B(1) atoms. In the third Ni site, Ni(3) is bonded in a 3-coordinate geometry to one Tb(1), one B(4), and two equivalent B(2) atoms. In the fourth Ni site, Ni(4) is bonded in a 3-coordinate geometry to one Tb(1), one B(1), one B(2), and one B(3) atom. In the fifth Ni site, Ni(5) is bonded in a 3-coordinate geometry to one Tb(1), one B(3), and two equivalent B(1) atoms. In the sixth Ni site, Ni(6) is bonded in a 3-coordinate geometry to two equivalent Tb(1), one B(1), one B(2), and one B(4) atom. In the seventh Ni site, Ni(7) is bonded to one Tb(1), one B(1), one B(2), one B(3), and one B(4) atom to form distorted face-sharing NiTbB4 tetrahedra. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to one Tb(1), one Ni(1), one Ni(4), one Ni(5), one Ni(6), one Ni(7), and two equivalent Ni(2) atoms. In the second B site, B(2) is bonded in a 7-coordinate geometry to one Tb(1), one Ni(2), one Ni(3), one Ni(4), one Ni(6), one Ni(7), and two equivalent Ni(1) atoms. In the third B site, B(3) is bonded in a 7-coordinate geometry to one Tb(1), one Ni(5), two equivalent Ni(2), two equivalent Ni(4), and two equivalent Ni(7) atoms. In the fourth B site, B(4) is bonded in a 8-coordinate geometry to one Tb(1), one Ni(3), two equivalent Ni(1), two equivalent Ni(6), and two equivalent Ni(7) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb(Ni2B)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.027
_cell_length_b   6.027
_cell_length_c   10.961
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   104.771
_symmetry_Int_Tables_number   1
_cell_volume   384.990
_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
  Tb  Tb0  1  0.833  0.833  0.004  1.0
  Tb  Tb1  1  0.167  0.167  0.504  1.0
  Ni  Ni2  1  0.998  0.632  0.563  1.0
  Ni  Ni3  1  0.731  0.343  0.432  1.0
  Ni  Ni4  1  0.343  0.731  0.432  1.0
  Ni  Ni5  1  0.657  0.269  0.932  1.0
  Ni  Ni6  1  0.002  0.368  0.063  1.0
  Ni  Ni7  1  0.368  0.002  0.063  1.0
  Ni  Ni8  1  0.632  0.998  0.563  1.0
  Ni  Ni9  1  0.433  0.433  0.082  1.0
  Ni  Ni10  1  0.213  0.474  0.723  1.0
  Ni  Ni11  1  0.787  0.526  0.223  1.0
  Ni  Ni12  1  0.526  0.787  0.223  1.0
  Ni  Ni13  1  0.474  0.213  0.723  1.0
  Ni  Ni14  1  0.567  0.567  0.582  1.0
  Ni  Ni15  1  0.218  0.218  0.901  1.0
  Ni  Ni16  1  0.146  0.882  0.744  1.0
  Ni  Ni17  1  0.854  0.118  0.244  1.0
  Ni  Ni18  1  0.118  0.854  0.244  1.0
  Ni  Ni19  1  0.882  0.146  0.744  1.0
  Ni  Ni20  1  0.544  0.806  0.767  1.0
  Ni  Ni21  1  0.456  0.194  0.267  1.0
  Ni  Ni22  1  0.194  0.456  0.267  1.0
  Ni  Ni23  1  0.806  0.544  0.767  1.0
  Ni  Ni24  1  0.782  0.782  0.401  1.0
  Ni  Ni25  1  0.269  0.657  0.932  1.0
  B  B26  1  0.400  0.988  0.877  1.0
  B  B27  1  0.600  0.012  0.377  1.0
  B  B28  1  0.012  0.600  0.377  1.0
  B  B29  1  0.988  0.400  0.877  1.0
  B  B30  1  0.328  0.759  0.615  1.0
  B  B31  1  0.672  0.241  0.115  1.0
  B  B32  1  0.241  0.672  0.115  1.0
  B  B33  1  0.759  0.328  0.615  1.0
  B  B34  1  0.512  0.512  0.345  1.0
  B  B35  1  0.488  0.488  0.845  1.0
  B  B36  1  0.163  0.163  0.162  1.0
  B  B37  1  0.837  0.837  0.662  1.0
[/CIF]
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The material described by Tb(Ni2B)6 crystallizes in the orthorhombic Cmc2_1 space group. Tb(1) is bonded in a 24-coordinate geometry to one Ni(3), one Ni(5), two equivalent Ni(4), two equivalent Ni(7), four equivalent Ni(1), four equivalent Ni(2), four equivalent Ni(6), one B(3), one B(4), two equivalent B(1), and two equivalent B(2) atoms. There are seven inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 4-coordinate geometry to two equivalent Tb(1), one B(1), one B(4), and two equivalent B(2) atoms. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to two equivalent Tb(1), one B(2), one B(3), and two equivalent B(1) atoms. In the third Ni site, Ni(3) is bonded in a 3-coordinate geometry to one Tb(1), one B(4), and two equivalent B(2) atoms. In the fourth Ni site, Ni(4) is bonded in a 3-coordinate geometry to one Tb(1), one B(1), one B(2), and one B(3) atom. In the fifth Ni site, Ni(5) is bonded in a 3-coordinate geometry to one Tb(1), one B(3), and two equivalent B(1) atoms. In the sixth Ni site, Ni(6) is bonded in a 3-coordinate geometry to two equivalent Tb(1), one B(1), one B(2), and one B(4) atom. In the seventh Ni site, Ni(7) is bonded to one Tb(1), one B(1), one B(2), one B(3), and one B(4) atom to form distorted face-sharing NiTbB4 tetrahedra. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to one Tb(1), one Ni(1), one Ni(4), one Ni(5), one Ni(6), one Ni(7), and two equivalent Ni(2) atoms. In the second B site, B(2) is bonded in a 7-coordinate geometry to one Tb(1), one Ni(2), one Ni(3), one Ni(4), one Ni(6), one Ni(7), and two equivalent Ni(1) atoms. In the third B site, B(3) is bonded in a 7-coordinate geometry to one Tb(1), one Ni(5), two equivalent Ni(2), two equivalent Ni(4), and two equivalent Ni(7) atoms. In the fourth B site, B(4) is bonded in a 8-coordinate geometry to one Tb(1), one Ni(3), two equivalent Ni(1), two equivalent Ni(6), and two equivalent Ni(7) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb(Ni2B)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.027
_cell_length_b   6.027
_cell_length_c   10.961
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   104.771
_symmetry_Int_Tables_number   1
_cell_volume   384.990
_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
  Tb  Tb0  1  0.833  0.833  0.004  1.0
  Tb  Tb1  1  0.167  0.167  0.504  1.0
  Ni  Ni2  1  0.998  0.632  0.563  1.0
  Ni  Ni3  1  0.731  0.343  0.432  1.0
  Ni  Ni4  1  0.343  0.731  0.432  1.0
  Ni  Ni5  1  0.657  0.269  0.932  1.0
  Ni  Ni6  1  0.002  0.368  0.063  1.0
  Ni  Ni7  1  0.368  0.002  0.063  1.0
  Ni  Ni8  1  0.632  0.998  0.563  1.0
  Ni  Ni9  1  0.433  0.433  0.082  1.0
  Ni  Ni10  1  0.213  0.474  0.723  1.0
  Ni  Ni11  1  0.787  0.526  0.223  1.0
  Ni  Ni12  1  0.526  0.787  0.223  1.0
  Ni  Ni13  1  0.474  0.213  0.723  1.0
  Ni  Ni14  1  0.567  0.567  0.582  1.0
  Ni  Ni15  1  0.218  0.218  0.901  1.0
  Ni  Ni16  1  0.146  0.882  0.744  1.0
  Ni  Ni17  1  0.854  0.118  0.244  1.0
  Ni  Ni18  1  0.118  0.854  0.244  1.0
  Ni  Ni19  1  0.882  0.146  0.744  1.0
  Ni  Ni20  1  0.544  0.806  0.767  1.0
  Ni  Ni21  1  0.456  0.194  0.267  1.0
  Ni  Ni22  1  0.194  0.456  0.267  1.0
  Ni  Ni23  1  0.806  0.544  0.767  1.0
  Ni  Ni24  1  0.782  0.782  0.401  1.0
  Ni  Ni25  1  0.269  0.657  0.932  1.0
  B  B26  1  0.400  0.988  0.877  1.0
  B  B27  1  0.600  0.012  0.377  1.0
  B  B28  1  0.012  0.600  0.377  1.0
  B  B29  1  0.988  0.400  0.877  1.0
  B  B30  1  0.328  0.759  0.615  1.0
  B  B31  1  0.672  0.241  0.115  1.0
  B  B32  1  0.241  0.672  0.115  1.0
  B  B33  1  0.759  0.328  0.615  1.0
  B  B34  1  0.512  0.512  0.345  1.0
  B  B35  1  0.488  0.488  0.845  1.0
  B  B36  1  0.163  0.163  0.162  1.0
  B  B37  1  0.837  0.837  0.662  1.0
[/CIF]
.