The material structure described by HoGa3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to six equivalent Ga(1) and six equivalent Ga(2) atoms to form HoGa12 cuboctahedra that share corners with six equivalent Ho(1)Ga12 cuboctahedra, corners with twelve equivalent Ga(1)Ho4Ga8 cuboctahedra, edges with six equivalent Ga(1)Ho4Ga8 cuboctahedra, faces with two equivalent Ho(1)Ga12 cuboctahedra, faces with six equivalent Ho(2)Ga12 cuboctahedra, and faces with six equivalent Ga(1)Ho4Ga8 cuboctahedra. In the second Ho site, Ho(2) is bonded to six equivalent Ga(1) and six equivalent Ga(2) atoms to form HoGa12 cuboctahedra that share corners with twelve equivalent Ho(2)Ga12 cuboctahedra, edges with twelve equivalent Ga(1)Ho4Ga8 cuboctahedra, faces with six equivalent Ho(1)Ga12 cuboctahedra, and faces with six equivalent Ga(1)Ho4Ga8 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(2) is bonded in a 10-coordinate geometry to two equivalent Ho(1), two equivalent Ho(2), two equivalent Ga(2), and four equivalent Ga(1) atoms. In the second Ga site, Ga(1) is bonded to two equivalent Ho(1), two equivalent Ho(2), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted GaHo4Ga8 cuboctahedra that share corners with four equivalent Ho(1)Ga12 cuboctahedra, corners with fourteen equivalent Ga(1)Ho4Ga8 cuboctahedra, edges with two equivalent Ho(1)Ga12 cuboctahedra, edges with four equivalent Ho(2)Ga12 cuboctahedra, edges with four equivalent Ga(1)Ho4Ga8 cuboctahedra, faces with two equivalent Ho(1)Ga12 cuboctahedra, faces with two equivalent Ho(2)Ga12 cuboctahedra, and faces with six equivalent Ga(1)Ho4Ga8 cuboctahedra. is represented by the CIF card [CIF]
data_HoGa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.076
_cell_length_b   6.076
_cell_length_c   9.351
_cell_angle_alpha   90.000
_cell_angle_beta   89.999
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   298.939
_cell_formula_units_Z   4
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
  Ho  Ho0  1  0.000  0.000  0.500  1.0
  Ho  Ho1  1  0.000  0.000  1.000  1.0
  Ho  Ho2  1  0.667  0.333  0.750  1.0
  Ho  Ho3  1  0.333  0.667  0.250  1.0
  Ga  Ga4  1  0.500  1.000  0.500  1.0
  Ga  Ga5  1  0.500  0.500  0.500  1.0
  Ga  Ga6  1  0.000  0.500  0.500  1.0
  Ga  Ga7  1  0.500  1.000  1.000  1.0
  Ga  Ga8  1  0.500  0.500  1.000  1.0
  Ga  Ga9  1  0.000  0.500  1.000  1.0
  Ga  Ga10  1  0.186  0.814  0.750  1.0
  Ga  Ga11  1  0.627  0.814  0.750  1.0
  Ga  Ga12  1  0.186  0.373  0.750  1.0
  Ga  Ga13  1  0.814  0.186  0.250  1.0
  Ga  Ga14  1  0.373  0.186  0.250  1.0
  Ga  Ga15  1  0.814  0.627  0.250  1.0
[/CIF]
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The material structure described by HoGa3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to six equivalent Ga(1) and six equivalent Ga(2) atoms to form HoGa12 cuboctahedra that share corners with six equivalent Ho(1)Ga12 cuboctahedra, corners with twelve equivalent Ga(1)Ho4Ga8 cuboctahedra, edges with six equivalent Ga(1)Ho4Ga8 cuboctahedra, faces with two equivalent Ho(1)Ga12 cuboctahedra, faces with six equivalent Ho(2)Ga12 cuboctahedra, and faces with six equivalent Ga(1)Ho4Ga8 cuboctahedra. In the second Ho site, Ho(2) is bonded to six equivalent Ga(1) and six equivalent Ga(2) atoms to form HoGa12 cuboctahedra that share corners with twelve equivalent Ho(2)Ga12 cuboctahedra, edges with twelve equivalent Ga(1)Ho4Ga8 cuboctahedra, faces with six equivalent Ho(1)Ga12 cuboctahedra, and faces with six equivalent Ga(1)Ho4Ga8 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(2) is bonded in a 10-coordinate geometry to two equivalent Ho(1), two equivalent Ho(2), two equivalent Ga(2), and four equivalent Ga(1) atoms. In the second Ga site, Ga(1) is bonded to two equivalent Ho(1), two equivalent Ho(2), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted GaHo4Ga8 cuboctahedra that share corners with four equivalent Ho(1)Ga12 cuboctahedra, corners with fourteen equivalent Ga(1)Ho4Ga8 cuboctahedra, edges with two equivalent Ho(1)Ga12 cuboctahedra, edges with four equivalent Ho(2)Ga12 cuboctahedra, edges with four equivalent Ga(1)Ho4Ga8 cuboctahedra, faces with two equivalent Ho(1)Ga12 cuboctahedra, faces with two equivalent Ho(2)Ga12 cuboctahedra, and faces with six equivalent Ga(1)Ho4Ga8 cuboctahedra. is represented by the CIF card [CIF]
data_HoGa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.076
_cell_length_b   6.076
_cell_length_c   9.351
_cell_angle_alpha   90.000
_cell_angle_beta   89.999
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   298.939
_cell_formula_units_Z   4
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
  Ho  Ho0  1  0.000  0.000  0.500  1.0
  Ho  Ho1  1  0.000  0.000  1.000  1.0
  Ho  Ho2  1  0.667  0.333  0.750  1.0
  Ho  Ho3  1  0.333  0.667  0.250  1.0
  Ga  Ga4  1  0.500  1.000  0.500  1.0
  Ga  Ga5  1  0.500  0.500  0.500  1.0
  Ga  Ga6  1  0.000  0.500  0.500  1.0
  Ga  Ga7  1  0.500  1.000  1.000  1.0
  Ga  Ga8  1  0.500  0.500  1.000  1.0
  Ga  Ga9  1  0.000  0.500  1.000  1.0
  Ga  Ga10  1  0.186  0.814  0.750  1.0
  Ga  Ga11  1  0.627  0.814  0.750  1.0
  Ga  Ga12  1  0.186  0.373  0.750  1.0
  Ga  Ga13  1  0.814  0.186  0.250  1.0
  Ga  Ga14  1  0.373  0.186  0.250  1.0
  Ga  Ga15  1  0.814  0.627  0.250  1.0
[/CIF]
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