The material described by TbNi3Ga2 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a hexagonal planar geometry to two equivalent Ni(3) and four equivalent Ni(4) atoms. In the second Tb site, Tb(2) is bonded in a 18-coordinate geometry to two equivalent Ni(1), two equivalent Ni(3), four equivalent Ni(2), four equivalent Ni(4), two equivalent Ga(1), and four equivalent Ga(2) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Tb(2), four equivalent Ni(4), and four equivalent Ga(1) atoms to form a mixture of corner and face-sharing NiTb4Ga4Ni4 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent Tb(2), two equivalent Ni(3), two equivalent Ni(4), and four equivalent Ga(2) atoms to form a mixture of corner and face-sharing NiTb4Ga4Ni4 cuboctahedra. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to one Tb(1), two equivalent Tb(2), two equivalent Ni(2), and four equivalent Ga(2) atoms. In the fourth Ni site, Ni(4) is bonded in a 9-coordinate geometry to one Tb(1), two equivalent Tb(2), one Ni(1), one Ni(2), two equivalent Ga(1), and two equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 8-coordinate geometry to two equivalent Tb(2), two equivalent Ni(1), and four equivalent Ni(4) atoms. In the second Ga site, Ga(2) is bonded in a 8-coordinate geometry to two equivalent Tb(2), two equivalent Ni(2), two equivalent Ni(3), and two equivalent Ni(4) atoms. is represented by the CIF card [CIF]
data_TbGa2Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.899
_cell_length_b   8.908
_cell_length_c   8.936
_cell_angle_alpha   119.899
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   269.048
_cell_formula_units_Z   3
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  0.000  0.500  0.000  1.0
  Tb  Tb1  1  0.500  0.833  0.667  1.0
  Tb  Tb2  1  0.500  0.167  0.333  1.0
  Ga  Ga3  1  0.500  0.185  0.000  1.0
  Ga  Ga4  1  0.500  0.500  0.685  1.0
  Ga  Ga5  1  0.500  0.815  0.315  1.0
  Ga  Ga6  1  0.500  0.815  0.000  1.0
  Ga  Ga7  1  0.500  0.500  0.315  1.0
  Ga  Ga8  1  0.500  0.185  0.685  1.0
  Ni  Ni9  1  0.000  0.000  0.000  1.0
  Ni  Ni10  1  0.000  0.500  0.500  1.0
  Ni  Ni11  1  0.000  0.000  0.500  1.0
  Ni  Ni12  1  0.000  0.681  0.362  1.0
  Ni  Ni13  1  0.000  0.138  0.819  1.0
  Ni  Ni14  1  0.000  0.681  0.819  1.0
  Ni  Ni15  1  0.000  0.319  0.638  1.0
  Ni  Ni16  1  0.000  0.319  0.181  1.0
  Ni  Ni17  1  0.000  0.862  0.181  1.0
[/CIF]
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The material described by TbNi3Ga2 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a hexagonal planar geometry to two equivalent Ni(3) and four equivalent Ni(4) atoms. In the second Tb site, Tb(2) is bonded in a 18-coordinate geometry to two equivalent Ni(1), two equivalent Ni(3), four equivalent Ni(2), four equivalent Ni(4), two equivalent Ga(1), and four equivalent Ga(2) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Tb(2), four equivalent Ni(4), and four equivalent Ga(1) atoms to form a mixture of corner and face-sharing NiTb4Ga4Ni4 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent Tb(2), two equivalent Ni(3), two equivalent Ni(4), and four equivalent Ga(2) atoms to form a mixture of corner and face-sharing NiTb4Ga4Ni4 cuboctahedra. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to one Tb(1), two equivalent Tb(2), two equivalent Ni(2), and four equivalent Ga(2) atoms. In the fourth Ni site, Ni(4) is bonded in a 9-coordinate geometry to one Tb(1), two equivalent Tb(2), one Ni(1), one Ni(2), two equivalent Ga(1), and two equivalent Ga(2) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 8-coordinate geometry to two equivalent Tb(2), two equivalent Ni(1), and four equivalent Ni(4) atoms. In the second Ga site, Ga(2) is bonded in a 8-coordinate geometry to two equivalent Tb(2), two equivalent Ni(2), two equivalent Ni(3), and two equivalent Ni(4) atoms. is represented by the CIF card [CIF]
data_TbGa2Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.899
_cell_length_b   8.908
_cell_length_c   8.936
_cell_angle_alpha   119.899
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   269.048
_cell_formula_units_Z   3
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  0.000  0.500  0.000  1.0
  Tb  Tb1  1  0.500  0.833  0.667  1.0
  Tb  Tb2  1  0.500  0.167  0.333  1.0
  Ga  Ga3  1  0.500  0.185  0.000  1.0
  Ga  Ga4  1  0.500  0.500  0.685  1.0
  Ga  Ga5  1  0.500  0.815  0.315  1.0
  Ga  Ga6  1  0.500  0.815  0.000  1.0
  Ga  Ga7  1  0.500  0.500  0.315  1.0
  Ga  Ga8  1  0.500  0.185  0.685  1.0
  Ni  Ni9  1  0.000  0.000  0.000  1.0
  Ni  Ni10  1  0.000  0.500  0.500  1.0
  Ni  Ni11  1  0.000  0.000  0.500  1.0
  Ni  Ni12  1  0.000  0.681  0.362  1.0
  Ni  Ni13  1  0.000  0.138  0.819  1.0
  Ni  Ni14  1  0.000  0.681  0.819  1.0
  Ni  Ni15  1  0.000  0.319  0.638  1.0
  Ni  Ni16  1  0.000  0.319  0.181  1.0
  Ni  Ni17  1  0.000  0.862  0.181  1.0
[/CIF]
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