The material structure described by Sr8Co3N8 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(2), two equivalent N(1), and two equivalent N(4) atoms to form a mixture of distorted corner and edge-sharing SrN5 square pyramids. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one N(3), one N(4), and three equivalent N(2) atoms. In the third Sr site, Sr(3) is bonded to one N(3), two equivalent N(1), and two equivalent N(4) atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. In the fourth Sr site, Sr(4) is bonded to one N(1), one N(2), and three equivalent N(3) atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a linear geometry to two equivalent N(4) atoms. In the second Co site, Co(2) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(3) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Sr(4), two equivalent Sr(1), two equivalent Sr(3), and one Co(2) atom to form a mixture of distorted corner and edge-sharing NSr5Co octahedra. The corner-sharing octahedral tilt angles range from 16-49°. In the second N site, N(2) is bonded to one Sr(1), one Sr(4), three equivalent Sr(2), and one Co(2) atom to form a mixture of distorted corner and edge-sharing NSr5Co octahedra. The corner-sharing octahedral tilt angles range from 17-49°. In the third N site, N(3) is bonded to one Sr(2), one Sr(3), three equivalent Sr(4), and one Co(2) atom to form a mixture of distorted corner and edge-sharing NSr5Co octahedra. The corner-sharing octahedral tilt angles range from 18-63°. In the fourth N site, N(4) is bonded to one Sr(2), two equivalent Sr(1), two equivalent Sr(3), and one Co(1) atom to form a mixture of distorted corner and edge-sharing NSr5Co octahedra. The corner-sharing octahedral tilt angles range from 0-63°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr8Co3N8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.732
_cell_length_b   9.732
_cell_length_c   7.460
_cell_angle_alpha   74.802
_cell_angle_beta   74.802
_cell_angle_gamma   31.835
_symmetry_Int_Tables_number   1
_cell_volume   358.609
_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  0.970  0.970  0.265  1.0
  Sr  Sr1  1  0.030  0.030  0.735  1.0
  Sr  Sr2  1  0.667  0.667  0.527  1.0
  Sr  Sr3  1  0.333  0.333  0.473  1.0
  Sr  Sr4  1  0.596  0.596  0.040  1.0
  Sr  Sr5  1  0.404  0.404  0.960  1.0
  Sr  Sr6  1  0.200  0.200  0.190  1.0
  Sr  Sr7  1  0.800  0.800  0.810  1.0
  Co  Co8  1  0.500  0.500  0.500  1.0
  Co  Co9  1  0.813  0.813  0.206  1.0
  Co  Co10  1  0.187  0.187  0.794  1.0
  N  N11  1  0.894  0.894  0.011  1.0
  N  N12  1  0.106  0.106  0.989  1.0
  N  N13  1  0.823  0.823  0.432  1.0
  N  N14  1  0.177  0.177  0.568  1.0
  N  N15  1  0.724  0.724  0.167  1.0
  N  N16  1  0.276  0.276  0.833  1.0
  N  N17  1  0.474  0.474  0.285  1.0
  N  N18  1  0.526  0.526  0.715  1.0
[/CIF]
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The material structure described by Sr8Co3N8 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(2), two equivalent N(1), and two equivalent N(4) atoms to form a mixture of distorted corner and edge-sharing SrN5 square pyramids. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one N(3), one N(4), and three equivalent N(2) atoms. In the third Sr site, Sr(3) is bonded to one N(3), two equivalent N(1), and two equivalent N(4) atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. In the fourth Sr site, Sr(4) is bonded to one N(1), one N(2), and three equivalent N(3) atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a linear geometry to two equivalent N(4) atoms. In the second Co site, Co(2) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(3) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Sr(4), two equivalent Sr(1), two equivalent Sr(3), and one Co(2) atom to form a mixture of distorted corner and edge-sharing NSr5Co octahedra. The corner-sharing octahedral tilt angles range from 16-49°. In the second N site, N(2) is bonded to one Sr(1), one Sr(4), three equivalent Sr(2), and one Co(2) atom to form a mixture of distorted corner and edge-sharing NSr5Co octahedra. The corner-sharing octahedral tilt angles range from 17-49°. In the third N site, N(3) is bonded to one Sr(2), one Sr(3), three equivalent Sr(4), and one Co(2) atom to form a mixture of distorted corner and edge-sharing NSr5Co octahedra. The corner-sharing octahedral tilt angles range from 18-63°. In the fourth N site, N(4) is bonded to one Sr(2), two equivalent Sr(1), two equivalent Sr(3), and one Co(1) atom to form a mixture of distorted corner and edge-sharing NSr5Co octahedra. The corner-sharing octahedral tilt angles range from 0-63°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr8Co3N8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.732
_cell_length_b   9.732
_cell_length_c   7.460
_cell_angle_alpha   74.802
_cell_angle_beta   74.802
_cell_angle_gamma   31.835
_symmetry_Int_Tables_number   1
_cell_volume   358.609
_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  0.970  0.970  0.265  1.0
  Sr  Sr1  1  0.030  0.030  0.735  1.0
  Sr  Sr2  1  0.667  0.667  0.527  1.0
  Sr  Sr3  1  0.333  0.333  0.473  1.0
  Sr  Sr4  1  0.596  0.596  0.040  1.0
  Sr  Sr5  1  0.404  0.404  0.960  1.0
  Sr  Sr6  1  0.200  0.200  0.190  1.0
  Sr  Sr7  1  0.800  0.800  0.810  1.0
  Co  Co8  1  0.500  0.500  0.500  1.0
  Co  Co9  1  0.813  0.813  0.206  1.0
  Co  Co10  1  0.187  0.187  0.794  1.0
  N  N11  1  0.894  0.894  0.011  1.0
  N  N12  1  0.106  0.106  0.989  1.0
  N  N13  1  0.823  0.823  0.432  1.0
  N  N14  1  0.177  0.177  0.568  1.0
  N  N15  1  0.724  0.724  0.167  1.0
  N  N16  1  0.276  0.276  0.833  1.0
  N  N17  1  0.474  0.474  0.285  1.0
  N  N18  1  0.526  0.526  0.715  1.0
[/CIF]
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