The compound described by LiSr4(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 Sr(1)N6 octahedra. Sr(1) is bonded to six equivalent N(1) atoms to form distorted SrN6 octahedra that share corners with six equivalent Sr(1)N6 octahedra, edges with six equivalent Sr(1)N6 octahedra, and faces with two equivalent Li(1)N6 octahedra. The corner-sharing octahedral tilt angles are 22°. 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 Sr(1), and one B(1) atom. is represented by the CIF card [CIF]
data_Sr4Li(BN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.489
_cell_length_b   6.489
_cell_length_c   6.489
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   210.357
_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
  Sr  Sr0  1  0.500  0.000  0.000  1.0
  Sr  Sr1  1  0.000  0.000  0.500  1.0
  Sr  Sr2  1  0.500  0.500  0.500  1.0
  Sr  Sr3  1  0.000  0.500  0.000  1.0
  Li  Li4  1  0.000  0.000  0.000  1.0
  B  B5  1  0.500  0.500  0.000  1.0
  B  B6  1  0.000  0.500  0.500  1.0
  B  B7  1  0.500  0.000  0.500  1.0
  N  N8  1  0.000  0.680  0.680  1.0
  N  N9  1  0.320  0.320  0.000  1.0
  N  N10  1  0.000  0.320  0.320  1.0
  N  N11  1  0.320  0.000  0.320  1.0
  N  N12  1  0.680  0.000  0.680  1.0
  N  N13  1  0.680  0.680  0.000  1.0
[/CIF]
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The compound described by LiSr4(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 Sr(1)N6 octahedra. Sr(1) is bonded to six equivalent N(1) atoms to form distorted SrN6 octahedra that share corners with six equivalent Sr(1)N6 octahedra, edges with six equivalent Sr(1)N6 octahedra, and faces with two equivalent Li(1)N6 octahedra. The corner-sharing octahedral tilt angles are 22°. 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 Sr(1), and one B(1) atom. is represented by the CIF card [CIF]
data_Sr4Li(BN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.489
_cell_length_b   6.489
_cell_length_c   6.489
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   210.357
_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
  Sr  Sr0  1  0.500  0.000  0.000  1.0
  Sr  Sr1  1  0.000  0.000  0.500  1.0
  Sr  Sr2  1  0.500  0.500  0.500  1.0
  Sr  Sr3  1  0.000  0.500  0.000  1.0
  Li  Li4  1  0.000  0.000  0.000  1.0
  B  B5  1  0.500  0.500  0.000  1.0
  B  B6  1  0.000  0.500  0.500  1.0
  B  B7  1  0.500  0.000  0.500  1.0
  N  N8  1  0.000  0.680  0.680  1.0
  N  N9  1  0.320  0.320  0.000  1.0
  N  N10  1  0.000  0.320  0.320  1.0
  N  N11  1  0.320  0.000  0.320  1.0
  N  N12  1  0.680  0.000  0.680  1.0
  N  N13  1  0.680  0.680  0.000  1.0
[/CIF]
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