The compound described by Ba(FeN)2 crystallizes in the trigonal P-3m1 space group. Ba(1) is bonded in a 6-coordinate geometry to six equivalent N(1) atoms. Fe(1) is bonded to four equivalent N(1) atoms to form a mixture of corner and edge-sharing FeN4 tetrahedra. N(1) is bonded in a 7-coordinate geometry to three equivalent Ba(1) and four equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_Ba(FeN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.358
_cell_length_b   3.359
_cell_length_c   6.707
_cell_angle_alpha   89.999
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   65.512
_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  0.500  1.0
  Fe  Fe1  1  0.667  0.333  0.105  1.0
  Fe  Fe2  1  0.333  0.667  0.895  1.0
  N  N3  1  0.667  0.333  0.826  1.0
  N  N4  1  0.333  0.667  0.174  1.0
[/CIF]
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The compound described by Ba(FeN)2 crystallizes in the trigonal P-3m1 space group. Ba(1) is bonded in a 6-coordinate geometry to six equivalent N(1) atoms. Fe(1) is bonded to four equivalent N(1) atoms to form a mixture of corner and edge-sharing FeN4 tetrahedra. N(1) is bonded in a 7-coordinate geometry to three equivalent Ba(1) and four equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_Ba(FeN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.358
_cell_length_b   3.359
_cell_length_c   6.707
_cell_angle_alpha   89.999
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   65.512
_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  0.500  1.0
  Fe  Fe1  1  0.667  0.333  0.105  1.0
  Fe  Fe2  1  0.333  0.667  0.895  1.0
  N  N3  1  0.667  0.333  0.826  1.0
  N  N4  1  0.333  0.667  0.174  1.0
[/CIF]
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