The compound described by BaEu3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded to four equivalent Eu(2) and eight equivalent Eu(1) atoms to form BaEu12 cuboctahedra that share corners with four equivalent Ba(1)Eu12 cuboctahedra, corners with eight equivalent Eu(2)Ba4Eu8 cuboctahedra, edges with eight equivalent Ba(1)Eu12 cuboctahedra, edges with sixteen equivalent Eu(1)Ba4Eu8 cuboctahedra, faces with four equivalent Ba(1)Eu12 cuboctahedra, faces with six equivalent Eu(2)Ba4Eu8 cuboctahedra, and faces with eight equivalent Eu(1)Ba4Eu8 cuboctahedra. There are two inequivalent Eu sites. In the first Eu site, Eu(1) is bonded to four equivalent Ba(1), four equivalent Eu(1), and four equivalent Eu(2) atoms to form EuBa4Eu8 cuboctahedra that share corners with twelve equivalent Eu(1)Ba4Eu8 cuboctahedra, edges with eight equivalent Ba(1)Eu12 cuboctahedra, edges with eight equivalent Eu(1)Ba4Eu8 cuboctahedra, edges with eight equivalent Eu(2)Ba4Eu8 cuboctahedra, faces with four equivalent Ba(1)Eu12 cuboctahedra, faces with four equivalent Eu(2)Ba4Eu8 cuboctahedra, and faces with ten equivalent Eu(1)Ba4Eu8 cuboctahedra. In the second Eu site, Eu(2) is bonded to four equivalent Ba(1) and eight equivalent Eu(1) atoms to form distorted EuBa4Eu8 cuboctahedra that share corners with four equivalent Eu(2)Ba4Eu8 cuboctahedra, corners with eight equivalent Ba(1)Eu12 cuboctahedra, edges with eight equivalent Eu(2)Ba4Eu8 cuboctahedra, edges with sixteen equivalent Eu(1)Ba4Eu8 cuboctahedra, faces with four equivalent Eu(2)Ba4Eu8 cuboctahedra, faces with six equivalent Ba(1)Eu12 cuboctahedra, and faces with eight equivalent Eu(1)Ba4Eu8 cuboctahedra. is represented by the CIF card [CIF]
data_BaEu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.201
_cell_length_b   7.201
_cell_length_c   7.201
_cell_angle_alpha   133.012
_cell_angle_beta   133.012
_cell_angle_gamma   68.635
_symmetry_Int_Tables_number   1
_cell_volume   196.080
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Eu  Eu1  1  0.750  0.250  0.500  1.0
  Eu  Eu2  1  0.250  0.750  0.500  1.0
  Eu  Eu3  1  0.500  0.500  0.000  1.0
[/CIF]
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The compound described by BaEu3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded to four equivalent Eu(2) and eight equivalent Eu(1) atoms to form BaEu12 cuboctahedra that share corners with four equivalent Ba(1)Eu12 cuboctahedra, corners with eight equivalent Eu(2)Ba4Eu8 cuboctahedra, edges with eight equivalent Ba(1)Eu12 cuboctahedra, edges with sixteen equivalent Eu(1)Ba4Eu8 cuboctahedra, faces with four equivalent Ba(1)Eu12 cuboctahedra, faces with six equivalent Eu(2)Ba4Eu8 cuboctahedra, and faces with eight equivalent Eu(1)Ba4Eu8 cuboctahedra. There are two inequivalent Eu sites. In the first Eu site, Eu(1) is bonded to four equivalent Ba(1), four equivalent Eu(1), and four equivalent Eu(2) atoms to form EuBa4Eu8 cuboctahedra that share corners with twelve equivalent Eu(1)Ba4Eu8 cuboctahedra, edges with eight equivalent Ba(1)Eu12 cuboctahedra, edges with eight equivalent Eu(1)Ba4Eu8 cuboctahedra, edges with eight equivalent Eu(2)Ba4Eu8 cuboctahedra, faces with four equivalent Ba(1)Eu12 cuboctahedra, faces with four equivalent Eu(2)Ba4Eu8 cuboctahedra, and faces with ten equivalent Eu(1)Ba4Eu8 cuboctahedra. In the second Eu site, Eu(2) is bonded to four equivalent Ba(1) and eight equivalent Eu(1) atoms to form distorted EuBa4Eu8 cuboctahedra that share corners with four equivalent Eu(2)Ba4Eu8 cuboctahedra, corners with eight equivalent Ba(1)Eu12 cuboctahedra, edges with eight equivalent Eu(2)Ba4Eu8 cuboctahedra, edges with sixteen equivalent Eu(1)Ba4Eu8 cuboctahedra, faces with four equivalent Eu(2)Ba4Eu8 cuboctahedra, faces with six equivalent Ba(1)Eu12 cuboctahedra, and faces with eight equivalent Eu(1)Ba4Eu8 cuboctahedra. is represented by the CIF card [CIF]
data_BaEu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.201
_cell_length_b   7.201
_cell_length_c   7.201
_cell_angle_alpha   133.012
_cell_angle_beta   133.012
_cell_angle_gamma   68.635
_symmetry_Int_Tables_number   1
_cell_volume   196.080
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Eu  Eu1  1  0.750  0.250  0.500  1.0
  Eu  Eu2  1  0.250  0.750  0.500  1.0
  Eu  Eu3  1  0.500  0.500  0.000  1.0
[/CIF]
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