The material structure described by Tb6Ni2Sn crystallizes in the orthorhombic Immm space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(2), one Sn(1), and one Sn(2) atom. In the second Tb site, Tb(2) is bonded in a 4-coordinate geometry to one Ni(2), two equivalent Ni(1), and one Sn(2) atom. In the third Tb site, Tb(3) is bonded in a 4-coordinate geometry to one Ni(1), two equivalent Ni(2), one Sn(1), and one Sn(2) atom. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 8-coordinate geometry to two equivalent Tb(1), two equivalent Tb(3), and four equivalent Tb(2) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to two equivalent Tb(1), two equivalent Tb(2), four equivalent Tb(3), and one Ni(2) atom. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a body-centered cubic geometry to four equivalent Tb(1) and four equivalent Tb(3) atoms. In the second Sn site, Sn(2) is bonded in a cuboctahedral geometry to four equivalent Tb(1), four equivalent Tb(2), and four equivalent Tb(3) atoms. is represented by the CIF card [CIF]
data_Tb6Ni2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.461
_cell_length_b   8.461
_cell_length_c   8.461
_cell_angle_alpha   107.347
_cell_angle_beta   109.151
_cell_angle_gamma   111.949
_symmetry_Int_Tables_number   1
_cell_volume   465.466
_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  0.706  0.265  0.971  1.0
  Tb  Tb1  1  0.294  0.735  0.029  1.0
  Tb  Tb2  1  0.706  0.735  0.441  1.0
  Tb  Tb3  1  0.294  0.265  0.559  1.0
  Tb  Tb4  1  0.810  0.135  0.325  1.0
  Tb  Tb5  1  0.810  0.486  0.675  1.0
  Tb  Tb6  1  0.190  0.865  0.675  1.0
  Tb  Tb7  1  0.190  0.514  0.325  1.0
  Tb  Tb8  1  0.605  0.786  0.819  1.0
  Tb  Tb9  1  0.967  0.786  0.181  1.0
  Tb  Tb10  1  0.033  0.214  0.819  1.0
  Tb  Tb11  1  0.395  0.214  0.181  1.0
  Ni  Ni12  1  0.852  0.500  0.352  1.0
  Ni  Ni13  1  0.148  0.500  0.648  1.0
  Ni  Ni14  1  0.000  0.122  0.122  1.0
  Ni  Ni15  1  0.000  0.878  0.878  1.0
  Sn  Sn16  1  0.500  0.500  0.000  1.0
  Sn  Sn17  1  0.500  0.000  0.500  1.0
[/CIF]
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The material structure described by Tb6Ni2Sn crystallizes in the orthorhombic Immm space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(2), one Sn(1), and one Sn(2) atom. In the second Tb site, Tb(2) is bonded in a 4-coordinate geometry to one Ni(2), two equivalent Ni(1), and one Sn(2) atom. In the third Tb site, Tb(3) is bonded in a 4-coordinate geometry to one Ni(1), two equivalent Ni(2), one Sn(1), and one Sn(2) atom. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 8-coordinate geometry to two equivalent Tb(1), two equivalent Tb(3), and four equivalent Tb(2) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to two equivalent Tb(1), two equivalent Tb(2), four equivalent Tb(3), and one Ni(2) atom. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a body-centered cubic geometry to four equivalent Tb(1) and four equivalent Tb(3) atoms. In the second Sn site, Sn(2) is bonded in a cuboctahedral geometry to four equivalent Tb(1), four equivalent Tb(2), and four equivalent Tb(3) atoms. is represented by the CIF card [CIF]
data_Tb6Ni2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.461
_cell_length_b   8.461
_cell_length_c   8.461
_cell_angle_alpha   107.347
_cell_angle_beta   109.151
_cell_angle_gamma   111.949
_symmetry_Int_Tables_number   1
_cell_volume   465.466
_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  0.706  0.265  0.971  1.0
  Tb  Tb1  1  0.294  0.735  0.029  1.0
  Tb  Tb2  1  0.706  0.735  0.441  1.0
  Tb  Tb3  1  0.294  0.265  0.559  1.0
  Tb  Tb4  1  0.810  0.135  0.325  1.0
  Tb  Tb5  1  0.810  0.486  0.675  1.0
  Tb  Tb6  1  0.190  0.865  0.675  1.0
  Tb  Tb7  1  0.190  0.514  0.325  1.0
  Tb  Tb8  1  0.605  0.786  0.819  1.0
  Tb  Tb9  1  0.967  0.786  0.181  1.0
  Tb  Tb10  1  0.033  0.214  0.819  1.0
  Tb  Tb11  1  0.395  0.214  0.181  1.0
  Ni  Ni12  1  0.852  0.500  0.352  1.0
  Ni  Ni13  1  0.148  0.500  0.648  1.0
  Ni  Ni14  1  0.000  0.122  0.122  1.0
  Ni  Ni15  1  0.000  0.878  0.878  1.0
  Sn  Sn16  1  0.500  0.500  0.000  1.0
  Sn  Sn17  1  0.500  0.000  0.500  1.0
[/CIF]
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