The material structure described by Sr8Fe3N8 crystallizes in the monoclinic C2/m space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one N(4), two equivalent N(2), and two equivalent N(3) atoms to form a mixture of distorted edge and corner-sharing SrN5 square pyramids. In the second Sr site, Sr(2) is bonded to one N(3), one N(4), and three equivalent N(1) atoms to form a mixture of distorted edge and corner-sharing SrN5 trigonal bipyramids. In the third Sr site, Sr(3) is bonded to one N(1), two equivalent N(2), and two equivalent N(3) atoms to form a mixture of distorted edge and corner-sharing SrN5 trigonal bipyramids. In the fourth Sr site, Sr(4) is bonded in a 5-coordinate geometry to one N(1), one N(2), and three equivalent N(4) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a trigonal planar geometry to one N(1), one N(3), and one N(4) atom. In the second Fe site, Fe(2) is bonded in a linear geometry to two equivalent N(2) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Sr(3), one Sr(4), three equivalent Sr(2), 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 19-65°. In the second N site, N(2) is bonded to one Sr(4), two equivalent Sr(1), two equivalent Sr(3), and one Fe(2) atom to form a mixture of distorted edge and corner-sharing NSr5Fe octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the third N site, N(3) is bonded to one Sr(2), two equivalent Sr(1), two equivalent Sr(3), 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 17-47°. In the fourth N site, N(4) is bonded to one Sr(1), one Sr(2), three equivalent Sr(4), 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 16-47°. is represented by the CIF file [CIF]
data_Sr8Fe3N8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.752
_cell_length_b   9.752
_cell_length_c   7.454
_cell_angle_alpha   74.639
_cell_angle_beta   74.639
_cell_angle_gamma   31.737
_symmetry_Int_Tables_number   1
_cell_volume   358.475
_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  0.030  0.030  0.738  1.0
  Sr  Sr1  1  0.800  0.800  0.807  1.0
  Sr  Sr2  1  0.405  0.405  0.966  1.0
  Sr  Sr3  1  0.667  0.667  0.531  1.0
  Sr  Sr4  1  0.333  0.333  0.469  1.0
  Sr  Sr5  1  0.595  0.595  0.034  1.0
  Sr  Sr6  1  0.970  0.970  0.262  1.0
  Sr  Sr7  1  0.200  0.200  0.193  1.0
  Fe  Fe8  1  0.812  0.812  0.206  1.0
  Fe  Fe9  1  0.500  0.500  0.500  1.0
  Fe  Fe10  1  0.188  0.188  0.794  1.0
  N  N11  1  0.276  0.276  0.831  1.0
  N  N12  1  0.473  0.473  0.281  1.0
  N  N13  1  0.527  0.527  0.719  1.0
  N  N14  1  0.108  0.108  0.984  1.0
  N  N15  1  0.892  0.892  0.016  1.0
  N  N16  1  0.724  0.724  0.169  1.0
  N  N17  1  0.822  0.822  0.430  1.0
  N  N18  1  0.178  0.178  0.570  1.0
[/CIF]
.
The material structure described by Sr8Fe3N8 crystallizes in the monoclinic C2/m space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one N(4), two equivalent N(2), and two equivalent N(3) atoms to form a mixture of distorted edge and corner-sharing SrN5 square pyramids. In the second Sr site, Sr(2) is bonded to one N(3), one N(4), and three equivalent N(1) atoms to form a mixture of distorted edge and corner-sharing SrN5 trigonal bipyramids. In the third Sr site, Sr(3) is bonded to one N(1), two equivalent N(2), and two equivalent N(3) atoms to form a mixture of distorted edge and corner-sharing SrN5 trigonal bipyramids. In the fourth Sr site, Sr(4) is bonded in a 5-coordinate geometry to one N(1), one N(2), and three equivalent N(4) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a trigonal planar geometry to one N(1), one N(3), and one N(4) atom. In the second Fe site, Fe(2) is bonded in a linear geometry to two equivalent N(2) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Sr(3), one Sr(4), three equivalent Sr(2), 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 19-65°. In the second N site, N(2) is bonded to one Sr(4), two equivalent Sr(1), two equivalent Sr(3), and one Fe(2) atom to form a mixture of distorted edge and corner-sharing NSr5Fe octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the third N site, N(3) is bonded to one Sr(2), two equivalent Sr(1), two equivalent Sr(3), 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 17-47°. In the fourth N site, N(4) is bonded to one Sr(1), one Sr(2), three equivalent Sr(4), 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 16-47°. is represented by the CIF file [CIF]
data_Sr8Fe3N8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.752
_cell_length_b   9.752
_cell_length_c   7.454
_cell_angle_alpha   74.639
_cell_angle_beta   74.639
_cell_angle_gamma   31.737
_symmetry_Int_Tables_number   1
_cell_volume   358.475
_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  0.030  0.030  0.738  1.0
  Sr  Sr1  1  0.800  0.800  0.807  1.0
  Sr  Sr2  1  0.405  0.405  0.966  1.0
  Sr  Sr3  1  0.667  0.667  0.531  1.0
  Sr  Sr4  1  0.333  0.333  0.469  1.0
  Sr  Sr5  1  0.595  0.595  0.034  1.0
  Sr  Sr6  1  0.970  0.970  0.262  1.0
  Sr  Sr7  1  0.200  0.200  0.193  1.0
  Fe  Fe8  1  0.812  0.812  0.206  1.0
  Fe  Fe9  1  0.500  0.500  0.500  1.0
  Fe  Fe10  1  0.188  0.188  0.794  1.0
  N  N11  1  0.276  0.276  0.831  1.0
  N  N12  1  0.473  0.473  0.281  1.0
  N  N13  1  0.527  0.527  0.719  1.0
  N  N14  1  0.108  0.108  0.984  1.0
  N  N15  1  0.892  0.892  0.016  1.0
  N  N16  1  0.724  0.724  0.169  1.0
  N  N17  1  0.822  0.822  0.430  1.0
  N  N18  1  0.178  0.178  0.570  1.0
[/CIF]
.