The material described by Lu3Sm is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to eight Lu(1,1) and four equivalent Sm(1) atoms to form LuSm4Lu8 cuboctahedra that share corners with four equivalent Sm(1)Lu12 cuboctahedra; corners with fourteen Lu(1,1)Sm4Lu8 cuboctahedra; edges with six equivalent Sm(1)Lu12 cuboctahedra; edges with twelve Lu(1,1)Sm4Lu8 cuboctahedra; faces with four equivalent Sm(1)Lu12 cuboctahedra; and faces with sixteen Lu(1,1,1)Sm4Lu8 cuboctahedra. In the second Lu site, Lu(1) is bonded to eight Lu(1,1,1) and four equivalent Sm(1) atoms to form LuSm4Lu8 cuboctahedra that share corners with four equivalent Sm(1)Lu12 cuboctahedra; corners with fourteen Lu(1,1)Sm4Lu8 cuboctahedra; edges with six equivalent Sm(1)Lu12 cuboctahedra; edges with twelve Lu(1,1,1)Sm4Lu8 cuboctahedra; faces with four equivalent Sm(1)Lu12 cuboctahedra; and faces with sixteen Lu(1,1,1)Sm4Lu8 cuboctahedra. In the third Lu site, Lu(1) is bonded to eight Lu(1,1) and four equivalent Sm(1) atoms to form LuSm4Lu8 cuboctahedra that share corners with four equivalent Sm(1)Lu12 cuboctahedra; corners with fourteen Lu(1,1,1)Sm4Lu8 cuboctahedra; edges with six equivalent Sm(1)Lu12 cuboctahedra; edges with twelve Lu(1,1)Sm4Lu8 cuboctahedra; faces with four equivalent Sm(1)Lu12 cuboctahedra; and faces with sixteen Lu(1,1,1)Sm4Lu8 cuboctahedra. Sm(1) is bonded to twelve Lu(1,1,1) atoms to form SmLu12 cuboctahedra that share corners with six equivalent Sm(1)Lu12 cuboctahedra; corners with twelve Lu(1,1,1)Sm4Lu8 cuboctahedra; edges with eighteen Lu(1,1,1)Sm4Lu8 cuboctahedra; faces with eight equivalent Sm(1)Lu12 cuboctahedra; and faces with twelve Lu(1,1,1)Sm4Lu8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmLu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.143
_cell_length_b   7.143
_cell_length_c   5.529
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   244.320
_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
  Sm  Sm0  1  0.333  0.667  0.750  1.0
  Sm  Sm1  1  0.667  0.333  0.250  1.0
  Lu  Lu2  1  0.165  0.330  0.250  1.0
  Lu  Lu3  1  0.670  0.835  0.250  1.0
  Lu  Lu4  1  0.165  0.835  0.250  1.0
  Lu  Lu5  1  0.835  0.670  0.750  1.0
  Lu  Lu6  1  0.330  0.165  0.750  1.0
  Lu  Lu7  1  0.835  0.165  0.750  1.0
[/CIF]
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The material described by Lu3Sm is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to eight Lu(1,1) and four equivalent Sm(1) atoms to form LuSm4Lu8 cuboctahedra that share corners with four equivalent Sm(1)Lu12 cuboctahedra; corners with fourteen Lu(1,1)Sm4Lu8 cuboctahedra; edges with six equivalent Sm(1)Lu12 cuboctahedra; edges with twelve Lu(1,1)Sm4Lu8 cuboctahedra; faces with four equivalent Sm(1)Lu12 cuboctahedra; and faces with sixteen Lu(1,1,1)Sm4Lu8 cuboctahedra. In the second Lu site, Lu(1) is bonded to eight Lu(1,1,1) and four equivalent Sm(1) atoms to form LuSm4Lu8 cuboctahedra that share corners with four equivalent Sm(1)Lu12 cuboctahedra; corners with fourteen Lu(1,1)Sm4Lu8 cuboctahedra; edges with six equivalent Sm(1)Lu12 cuboctahedra; edges with twelve Lu(1,1,1)Sm4Lu8 cuboctahedra; faces with four equivalent Sm(1)Lu12 cuboctahedra; and faces with sixteen Lu(1,1,1)Sm4Lu8 cuboctahedra. In the third Lu site, Lu(1) is bonded to eight Lu(1,1) and four equivalent Sm(1) atoms to form LuSm4Lu8 cuboctahedra that share corners with four equivalent Sm(1)Lu12 cuboctahedra; corners with fourteen Lu(1,1,1)Sm4Lu8 cuboctahedra; edges with six equivalent Sm(1)Lu12 cuboctahedra; edges with twelve Lu(1,1)Sm4Lu8 cuboctahedra; faces with four equivalent Sm(1)Lu12 cuboctahedra; and faces with sixteen Lu(1,1,1)Sm4Lu8 cuboctahedra. Sm(1) is bonded to twelve Lu(1,1,1) atoms to form SmLu12 cuboctahedra that share corners with six equivalent Sm(1)Lu12 cuboctahedra; corners with twelve Lu(1,1,1)Sm4Lu8 cuboctahedra; edges with eighteen Lu(1,1,1)Sm4Lu8 cuboctahedra; faces with eight equivalent Sm(1)Lu12 cuboctahedra; and faces with twelve Lu(1,1,1)Sm4Lu8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmLu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.143
_cell_length_b   7.143
_cell_length_c   5.529
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   244.320
_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
  Sm  Sm0  1  0.333  0.667  0.750  1.0
  Sm  Sm1  1  0.667  0.333  0.250  1.0
  Lu  Lu2  1  0.165  0.330  0.250  1.0
  Lu  Lu3  1  0.670  0.835  0.250  1.0
  Lu  Lu4  1  0.165  0.835  0.250  1.0
  Lu  Lu5  1  0.835  0.670  0.750  1.0
  Lu  Lu6  1  0.330  0.165  0.750  1.0
  Lu  Lu7  1  0.835  0.165  0.750  1.0
[/CIF]
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