The material structure described by Sr3FeN3 crystallizes in the hexagonal P6_3/m space group. Sr(1) is bonded to five equivalent N(1) atoms to form a mixture of distorted edge and corner-sharing SrN5 trigonal bipyramids. Fe(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. N(1) is bonded to five equivalent Sr(1) and one Fe(1) atom to form a mixture of distorted edge and corner-sharing NSr5Fe octahedra. The corner-sharing octahedral tilt angles range from 20-44°. is represented by the CIF file [CIF]
data_Sr3FeN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.627
_cell_length_b   7.626
_cell_length_c   5.281
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   266.018
_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
  Sr  Sr0  1  0.725  0.085  0.250  1.0
  Sr  Sr1  1  0.640  0.725  0.750  1.0
  Sr  Sr2  1  0.085  0.360  0.750  1.0
  Sr  Sr3  1  0.915  0.640  0.250  1.0
  Sr  Sr4  1  0.360  0.275  0.250  1.0
  Sr  Sr5  1  0.275  0.915  0.750  1.0
  Fe  Fe6  1  0.333  0.667  0.250  1.0
  Fe  Fe7  1  0.667  0.333  0.750  1.0
  N  N8  1  0.688  0.117  0.750  1.0
  N  N9  1  0.571  0.688  0.250  1.0
  N  N10  1  0.117  0.429  0.250  1.0
  N  N11  1  0.883  0.571  0.750  1.0
  N  N12  1  0.429  0.312  0.750  1.0
  N  N13  1  0.312  0.883  0.250  1.0
[/CIF]
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The material structure described by Sr3FeN3 crystallizes in the hexagonal P6_3/m space group. Sr(1) is bonded to five equivalent N(1) atoms to form a mixture of distorted edge and corner-sharing SrN5 trigonal bipyramids. Fe(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. N(1) is bonded to five equivalent Sr(1) and one Fe(1) atom to form a mixture of distorted edge and corner-sharing NSr5Fe octahedra. The corner-sharing octahedral tilt angles range from 20-44°. is represented by the CIF file [CIF]
data_Sr3FeN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.627
_cell_length_b   7.626
_cell_length_c   5.281
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   266.018
_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
  Sr  Sr0  1  0.725  0.085  0.250  1.0
  Sr  Sr1  1  0.640  0.725  0.750  1.0
  Sr  Sr2  1  0.085  0.360  0.750  1.0
  Sr  Sr3  1  0.915  0.640  0.250  1.0
  Sr  Sr4  1  0.360  0.275  0.250  1.0
  Sr  Sr5  1  0.275  0.915  0.750  1.0
  Fe  Fe6  1  0.333  0.667  0.250  1.0
  Fe  Fe7  1  0.667  0.333  0.750  1.0
  N  N8  1  0.688  0.117  0.750  1.0
  N  N9  1  0.571  0.688  0.250  1.0
  N  N10  1  0.117  0.429  0.250  1.0
  N  N11  1  0.883  0.571  0.750  1.0
  N  N12  1  0.429  0.312  0.750  1.0
  N  N13  1  0.312  0.883  0.250  1.0
[/CIF]
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