The material structure described by TbCo4Ga 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 18-coordinate geometry to six equivalent Co(1), six equivalent Co(2), and six equivalent Ga(1) atoms. In the second Tb site, Tb(2) is bonded in a distorted hexagonal planar geometry to six equivalent Co(1) and twelve equivalent Co(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to one Tb(2), two equivalent Tb(1), four equivalent Co(2), and two equivalent Ga(1) atoms. In the second Co site, Co(2) is bonded to two equivalent Tb(1), two equivalent Tb(2), two equivalent Co(2), four equivalent Co(1), and two equivalent Ga(1) atoms to form CoTb4Ga2Co6 cuboctahedra that share corners with four equivalent Ga(1)Tb4Co8 cuboctahedra, corners with twelve equivalent Co(2)Tb4Ga2Co6 cuboctahedra, edges with five equivalent Co(2)Tb4Ga2Co6 cuboctahedra, edges with five equivalent Ga(1)Tb4Co8 cuboctahedra, faces with two equivalent Ga(1)Tb4Co8 cuboctahedra, and faces with eight equivalent Co(2)Tb4Ga2Co6 cuboctahedra. Ga(1) is bonded to four equivalent Tb(1), four equivalent Co(1), and four equivalent Co(2) atoms to form GaTb4Co8 cuboctahedra that share corners with eight equivalent Co(2)Tb4Ga2Co6 cuboctahedra, corners with eight equivalent Ga(1)Tb4Co8 cuboctahedra, edges with ten equivalent Co(2)Tb4Ga2Co6 cuboctahedra, faces with four equivalent Co(2)Tb4Ga2Co6 cuboctahedra, and faces with six equivalent Ga(1)Tb4Co8 cuboctahedra. is represented by the CIF file [CIF]
data_TbGaCo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.669
_cell_length_b   8.669
_cell_length_c   3.971
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   258.449
_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  0.333  0.667  0.000  1.0
  Tb  Tb1  1  0.667  0.333  1.000  1.0
  Tb  Tb2  1  1.000  0.000  0.000  1.0
  Ga  Ga3  1  0.500  0.000  0.500  1.0
  Ga  Ga4  1  1.000  0.500  0.500  1.0
  Ga  Ga5  1  0.500  0.500  0.500  1.0
  Co  Co6  1  0.318  1.000  1.000  1.0
  Co  Co7  1  0.682  1.000  1.000  1.0
  Co  Co8  1  0.000  0.318  0.000  1.0
  Co  Co9  1  0.000  0.682  0.000  1.0
  Co  Co10  1  0.682  0.682  0.000  1.0
  Co  Co11  1  0.318  0.318  1.000  1.0
  Co  Co12  1  0.163  0.326  0.500  1.0
  Co  Co13  1  0.837  0.674  0.500  1.0
  Co  Co14  1  0.674  0.837  0.500  1.0
  Co  Co15  1  0.326  0.163  0.500  1.0
  Co  Co16  1  0.163  0.837  0.500  1.0
  Co  Co17  1  0.837  0.163  0.500  1.0
[/CIF]
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The material structure described by TbCo4Ga 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 18-coordinate geometry to six equivalent Co(1), six equivalent Co(2), and six equivalent Ga(1) atoms. In the second Tb site, Tb(2) is bonded in a distorted hexagonal planar geometry to six equivalent Co(1) and twelve equivalent Co(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to one Tb(2), two equivalent Tb(1), four equivalent Co(2), and two equivalent Ga(1) atoms. In the second Co site, Co(2) is bonded to two equivalent Tb(1), two equivalent Tb(2), two equivalent Co(2), four equivalent Co(1), and two equivalent Ga(1) atoms to form CoTb4Ga2Co6 cuboctahedra that share corners with four equivalent Ga(1)Tb4Co8 cuboctahedra, corners with twelve equivalent Co(2)Tb4Ga2Co6 cuboctahedra, edges with five equivalent Co(2)Tb4Ga2Co6 cuboctahedra, edges with five equivalent Ga(1)Tb4Co8 cuboctahedra, faces with two equivalent Ga(1)Tb4Co8 cuboctahedra, and faces with eight equivalent Co(2)Tb4Ga2Co6 cuboctahedra. Ga(1) is bonded to four equivalent Tb(1), four equivalent Co(1), and four equivalent Co(2) atoms to form GaTb4Co8 cuboctahedra that share corners with eight equivalent Co(2)Tb4Ga2Co6 cuboctahedra, corners with eight equivalent Ga(1)Tb4Co8 cuboctahedra, edges with ten equivalent Co(2)Tb4Ga2Co6 cuboctahedra, faces with four equivalent Co(2)Tb4Ga2Co6 cuboctahedra, and faces with six equivalent Ga(1)Tb4Co8 cuboctahedra. is represented by the CIF file [CIF]
data_TbGaCo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.669
_cell_length_b   8.669
_cell_length_c   3.971
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   258.449
_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  0.333  0.667  0.000  1.0
  Tb  Tb1  1  0.667  0.333  1.000  1.0
  Tb  Tb2  1  1.000  0.000  0.000  1.0
  Ga  Ga3  1  0.500  0.000  0.500  1.0
  Ga  Ga4  1  1.000  0.500  0.500  1.0
  Ga  Ga5  1  0.500  0.500  0.500  1.0
  Co  Co6  1  0.318  1.000  1.000  1.0
  Co  Co7  1  0.682  1.000  1.000  1.0
  Co  Co8  1  0.000  0.318  0.000  1.0
  Co  Co9  1  0.000  0.682  0.000  1.0
  Co  Co10  1  0.682  0.682  0.000  1.0
  Co  Co11  1  0.318  0.318  1.000  1.0
  Co  Co12  1  0.163  0.326  0.500  1.0
  Co  Co13  1  0.837  0.674  0.500  1.0
  Co  Co14  1  0.674  0.837  0.500  1.0
  Co  Co15  1  0.326  0.163  0.500  1.0
  Co  Co16  1  0.163  0.837  0.500  1.0
  Co  Co17  1  0.837  0.163  0.500  1.0
[/CIF]
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