The crystal structure described by LiEu4(BN2)3 crystallizes in the cubic Im-3m space group. Li(1) is bonded to six equivalent N(1) atoms to form LiN6 octahedra that share faces with eight equivalent Eu(1)N6 octahedra. Eu(1) is bonded to six equivalent N(1) atoms to form distorted EuN6 octahedra that share corners with six equivalent Eu(1)N6 octahedra, edges with six equivalent Eu(1)N6 octahedra, and faces with two equivalent Li(1)N6 octahedra. The corner-sharing octahedral tilt angles are 21°. B(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded in a 6-coordinate geometry to one Li(1), four equivalent Eu(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiEu4(BN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.375
_cell_length_b   6.375
_cell_length_c   6.375
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   199.488
_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
  Li  Li0  1  0.000  0.000  0.000  1.0
  Eu  Eu1  1  0.000  0.000  0.500  1.0
  Eu  Eu2  1  0.000  0.500  0.000  1.0
  Eu  Eu3  1  0.500  0.000  0.000  1.0
  Eu  Eu4  1  0.500  0.500  0.500  1.0
  B  B5  1  0.500  0.500  0.000  1.0
  B  B6  1  0.500  0.000  0.500  1.0
  B  B7  1  0.000  0.500  0.500  1.0
  N  N8  1  0.683  0.683  0.000  1.0
  N  N9  1  0.317  0.000  0.317  1.0
  N  N10  1  0.000  0.317  0.317  1.0
  N  N11  1  0.317  0.317  0.000  1.0
  N  N12  1  0.683  0.000  0.683  1.0
  N  N13  1  0.000  0.683  0.683  1.0
[/CIF]
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The crystal structure described by LiEu4(BN2)3 crystallizes in the cubic Im-3m space group. Li(1) is bonded to six equivalent N(1) atoms to form LiN6 octahedra that share faces with eight equivalent Eu(1)N6 octahedra. Eu(1) is bonded to six equivalent N(1) atoms to form distorted EuN6 octahedra that share corners with six equivalent Eu(1)N6 octahedra, edges with six equivalent Eu(1)N6 octahedra, and faces with two equivalent Li(1)N6 octahedra. The corner-sharing octahedral tilt angles are 21°. B(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded in a 6-coordinate geometry to one Li(1), four equivalent Eu(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiEu4(BN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.375
_cell_length_b   6.375
_cell_length_c   6.375
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   199.488
_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
  Li  Li0  1  0.000  0.000  0.000  1.0
  Eu  Eu1  1  0.000  0.000  0.500  1.0
  Eu  Eu2  1  0.000  0.500  0.000  1.0
  Eu  Eu3  1  0.500  0.000  0.000  1.0
  Eu  Eu4  1  0.500  0.500  0.500  1.0
  B  B5  1  0.500  0.500  0.000  1.0
  B  B6  1  0.500  0.000  0.500  1.0
  B  B7  1  0.000  0.500  0.500  1.0
  N  N8  1  0.683  0.683  0.000  1.0
  N  N9  1  0.317  0.000  0.317  1.0
  N  N10  1  0.000  0.317  0.317  1.0
  N  N11  1  0.317  0.317  0.000  1.0
  N  N12  1  0.683  0.000  0.683  1.0
  N  N13  1  0.000  0.683  0.683  1.0
[/CIF]
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