The crystal structure described by TbNi4Ga crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a hexagonal planar geometry to six equivalent Ni(1) and twelve equivalent Ni(2) atoms. In the second Tb site, Tb(2) is bonded in a 18-coordinate geometry to six equivalent Ni(1), six equivalent Ni(2), and six equivalent Ga(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 11-coordinate geometry to one Tb(1), two equivalent Tb(2), two equivalent Ni(1), four equivalent Ni(2), and two equivalent Ga(1) atoms. In the second Ni site, Ni(2) is bonded to two equivalent Tb(1), two equivalent Tb(2), two equivalent Ni(2), four equivalent Ni(1), and two equivalent Ga(1) atoms to form distorted NiTb4Ga2Ni6 cuboctahedra that share corners with four equivalent Ga(1)Tb4Ni8 cuboctahedra, corners with fourteen equivalent Ni(2)Tb4Ga2Ni6 cuboctahedra, edges with five equivalent Ni(2)Tb4Ga2Ni6 cuboctahedra, faces with six equivalent Ga(1)Tb4Ni8 cuboctahedra, and faces with seven equivalent Ni(2)Tb4Ga2Ni6 cuboctahedra. Ga(1) is bonded to four equivalent Tb(2), four equivalent Ni(1), and four equivalent Ni(2) atoms to form distorted GaTb4Ni8 cuboctahedra that share corners with eight equivalent Ni(2)Tb4Ga2Ni6 cuboctahedra, corners with eight equivalent Ga(1)Tb4Ni8 cuboctahedra, faces with six equivalent Ga(1)Tb4Ni8 cuboctahedra, and faces with twelve equivalent Ni(2)Tb4Ga2Ni6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbGaNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.982
_cell_length_b   8.515
_cell_length_c   8.515
_cell_angle_alpha   119.999
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   250.053
_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  1.000  1.000  1.000  1.0
  Tb  Tb1  1  0.500  0.667  0.333  1.0
  Tb  Tb2  1  0.500  0.333  0.667  1.0
  Ga  Ga3  1  0.000  0.500  0.500  1.0
  Ga  Ga4  1  0.000  0.000  0.500  1.0
  Ga  Ga5  1  1.000  0.500  0.000  1.0
  Ni  Ni6  1  0.000  0.820  0.180  1.0
  Ni  Ni7  1  1.000  0.180  0.820  1.0
  Ni  Ni8  1  1.000  0.360  0.180  1.0
  Ni  Ni9  1  0.000  0.640  0.820  1.0
  Ni  Ni10  1  1.000  0.820  0.640  1.0
  Ni  Ni11  1  1.000  0.180  0.360  1.0
  Ni  Ni12  1  0.500  0.694  0.694  1.0
  Ni  Ni13  1  0.500  0.306  0.306  1.0
  Ni  Ni14  1  0.500  1.000  0.306  1.0
  Ni  Ni15  1  0.500  0.000  0.694  1.0
  Ni  Ni16  1  0.500  0.306  0.000  1.0
  Ni  Ni17  1  0.500  0.694  1.000  1.0
[/CIF]
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The crystal structure described by TbNi4Ga crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a hexagonal planar geometry to six equivalent Ni(1) and twelve equivalent Ni(2) atoms. In the second Tb site, Tb(2) is bonded in a 18-coordinate geometry to six equivalent Ni(1), six equivalent Ni(2), and six equivalent Ga(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 11-coordinate geometry to one Tb(1), two equivalent Tb(2), two equivalent Ni(1), four equivalent Ni(2), and two equivalent Ga(1) atoms. In the second Ni site, Ni(2) is bonded to two equivalent Tb(1), two equivalent Tb(2), two equivalent Ni(2), four equivalent Ni(1), and two equivalent Ga(1) atoms to form distorted NiTb4Ga2Ni6 cuboctahedra that share corners with four equivalent Ga(1)Tb4Ni8 cuboctahedra, corners with fourteen equivalent Ni(2)Tb4Ga2Ni6 cuboctahedra, edges with five equivalent Ni(2)Tb4Ga2Ni6 cuboctahedra, faces with six equivalent Ga(1)Tb4Ni8 cuboctahedra, and faces with seven equivalent Ni(2)Tb4Ga2Ni6 cuboctahedra. Ga(1) is bonded to four equivalent Tb(2), four equivalent Ni(1), and four equivalent Ni(2) atoms to form distorted GaTb4Ni8 cuboctahedra that share corners with eight equivalent Ni(2)Tb4Ga2Ni6 cuboctahedra, corners with eight equivalent Ga(1)Tb4Ni8 cuboctahedra, faces with six equivalent Ga(1)Tb4Ni8 cuboctahedra, and faces with twelve equivalent Ni(2)Tb4Ga2Ni6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbGaNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.982
_cell_length_b   8.515
_cell_length_c   8.515
_cell_angle_alpha   119.999
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   250.053
_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  1.000  1.000  1.000  1.0
  Tb  Tb1  1  0.500  0.667  0.333  1.0
  Tb  Tb2  1  0.500  0.333  0.667  1.0
  Ga  Ga3  1  0.000  0.500  0.500  1.0
  Ga  Ga4  1  0.000  0.000  0.500  1.0
  Ga  Ga5  1  1.000  0.500  0.000  1.0
  Ni  Ni6  1  0.000  0.820  0.180  1.0
  Ni  Ni7  1  1.000  0.180  0.820  1.0
  Ni  Ni8  1  1.000  0.360  0.180  1.0
  Ni  Ni9  1  0.000  0.640  0.820  1.0
  Ni  Ni10  1  1.000  0.820  0.640  1.0
  Ni  Ni11  1  1.000  0.180  0.360  1.0
  Ni  Ni12  1  0.500  0.694  0.694  1.0
  Ni  Ni13  1  0.500  0.306  0.306  1.0
  Ni  Ni14  1  0.500  1.000  0.306  1.0
  Ni  Ni15  1  0.500  0.000  0.694  1.0
  Ni  Ni16  1  0.500  0.306  0.000  1.0
  Ni  Ni17  1  0.500  0.694  1.000  1.0
[/CIF]
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