The material described by LuTa3 crystallizes in the hexagonal P6_3/mmc space group. Lu(1) is bonded to twelve Ta(1,1,1) atoms to form LuTa12 cuboctahedra that share corners with six equivalent Lu(1)Ta12 cuboctahedra; corners with twelve Ta(1,1)Lu4Ta8 cuboctahedra; edges with eighteen Ta(1,1,1)Lu4Ta8 cuboctahedra; faces with eight equivalent Lu(1)Ta12 cuboctahedra; and faces with twelve Ta(1,1,1)Lu4Ta8 cuboctahedra. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to four equivalent Lu(1) and eight Ta(1,1) atoms to form distorted TaLu4Ta8 cuboctahedra that share corners with four equivalent Lu(1)Ta12 cuboctahedra; corners with fourteen Ta(1,1)Lu4Ta8 cuboctahedra; edges with six equivalent Lu(1)Ta12 cuboctahedra; edges with twelve Ta(1,1)Lu4Ta8 cuboctahedra; faces with four equivalent Lu(1)Ta12 cuboctahedra; and faces with sixteen Ta(1,1,1)Lu4Ta8 cuboctahedra. In the second Ta site, Ta(1) is bonded to four equivalent Lu(1) and eight Ta(1,1,1) atoms to form distorted TaLu4Ta8 cuboctahedra that share corners with four equivalent Lu(1)Ta12 cuboctahedra; corners with fourteen Ta(1,1)Lu4Ta8 cuboctahedra; edges with six equivalent Lu(1)Ta12 cuboctahedra; edges with twelve Ta(1,1,1)Lu4Ta8 cuboctahedra; faces with four equivalent Lu(1)Ta12 cuboctahedra; and faces with sixteen Ta(1,1,1)Lu4Ta8 cuboctahedra. In the third Ta site, Ta(1) is bonded to four equivalent Lu(1) and eight Ta(1,1) atoms to form distorted TaLu4Ta8 cuboctahedra that share corners with four equivalent Lu(1)Ta12 cuboctahedra; corners with fourteen Ta(1,1)Lu4Ta8 cuboctahedra; edges with six equivalent Lu(1)Ta12 cuboctahedra; edges with twelve Ta(1,1)Lu4Ta8 cuboctahedra; faces with four equivalent Lu(1)Ta12 cuboctahedra; and faces with sixteen Ta(1,1,1)Lu4Ta8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LuTa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.239
_cell_length_b   6.239
_cell_length_c   4.991
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   168.276
_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
  Lu  Lu0  1  0.333  0.667  0.750  1.0
  Lu  Lu1  1  0.667  0.333  0.250  1.0
  Ta  Ta2  1  0.149  0.299  0.250  1.0
  Ta  Ta3  1  0.701  0.851  0.250  1.0
  Ta  Ta4  1  0.149  0.851  0.250  1.0
  Ta  Ta5  1  0.851  0.701  0.750  1.0
  Ta  Ta6  1  0.299  0.149  0.750  1.0
  Ta  Ta7  1  0.851  0.149  0.750  1.0
[/CIF]
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The material described by LuTa3 crystallizes in the hexagonal P6_3/mmc space group. Lu(1) is bonded to twelve Ta(1,1,1) atoms to form LuTa12 cuboctahedra that share corners with six equivalent Lu(1)Ta12 cuboctahedra; corners with twelve Ta(1,1)Lu4Ta8 cuboctahedra; edges with eighteen Ta(1,1,1)Lu4Ta8 cuboctahedra; faces with eight equivalent Lu(1)Ta12 cuboctahedra; and faces with twelve Ta(1,1,1)Lu4Ta8 cuboctahedra. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to four equivalent Lu(1) and eight Ta(1,1) atoms to form distorted TaLu4Ta8 cuboctahedra that share corners with four equivalent Lu(1)Ta12 cuboctahedra; corners with fourteen Ta(1,1)Lu4Ta8 cuboctahedra; edges with six equivalent Lu(1)Ta12 cuboctahedra; edges with twelve Ta(1,1)Lu4Ta8 cuboctahedra; faces with four equivalent Lu(1)Ta12 cuboctahedra; and faces with sixteen Ta(1,1,1)Lu4Ta8 cuboctahedra. In the second Ta site, Ta(1) is bonded to four equivalent Lu(1) and eight Ta(1,1,1) atoms to form distorted TaLu4Ta8 cuboctahedra that share corners with four equivalent Lu(1)Ta12 cuboctahedra; corners with fourteen Ta(1,1)Lu4Ta8 cuboctahedra; edges with six equivalent Lu(1)Ta12 cuboctahedra; edges with twelve Ta(1,1,1)Lu4Ta8 cuboctahedra; faces with four equivalent Lu(1)Ta12 cuboctahedra; and faces with sixteen Ta(1,1,1)Lu4Ta8 cuboctahedra. In the third Ta site, Ta(1) is bonded to four equivalent Lu(1) and eight Ta(1,1) atoms to form distorted TaLu4Ta8 cuboctahedra that share corners with four equivalent Lu(1)Ta12 cuboctahedra; corners with fourteen Ta(1,1)Lu4Ta8 cuboctahedra; edges with six equivalent Lu(1)Ta12 cuboctahedra; edges with twelve Ta(1,1)Lu4Ta8 cuboctahedra; faces with four equivalent Lu(1)Ta12 cuboctahedra; and faces with sixteen Ta(1,1,1)Lu4Ta8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LuTa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.239
_cell_length_b   6.239
_cell_length_c   4.991
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   168.276
_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
  Lu  Lu0  1  0.333  0.667  0.750  1.0
  Lu  Lu1  1  0.667  0.333  0.250  1.0
  Ta  Ta2  1  0.149  0.299  0.250  1.0
  Ta  Ta3  1  0.701  0.851  0.250  1.0
  Ta  Ta4  1  0.149  0.851  0.250  1.0
  Ta  Ta5  1  0.851  0.701  0.750  1.0
  Ta  Ta6  1  0.299  0.149  0.750  1.0
  Ta  Ta7  1  0.851  0.149  0.750  1.0
[/CIF]
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