The crystal structure described by Sr4CoN4 crystallizes in the triclinic P-1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one N(1), one N(4), two equivalent N(2), and two equivalent N(3) atoms. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one N(4), two equivalent N(2), and two equivalent N(3) atoms. In the third Sr site, Sr(3) is bonded in a 5-coordinate geometry to one N(3), two equivalent N(1), and two equivalent N(4) atoms. In the fourth Sr site, Sr(4) is bonded in a 6-coordinate geometry to one N(2), one N(3), two equivalent N(1), and two equivalent N(4) atoms. Co(1) is bonded in a tetrahedral geometry to one N(1), one N(2), one N(3), and one N(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Sr(1), two equivalent Sr(3), two equivalent Sr(4), and one Co(1) atom to form a mixture of face, corner, and edge-sharing NSr5Co octahedra. The corner-sharing octahedral tilt angles range from 44-64°. In the second N site, N(2) is bonded to one Sr(4), two equivalent Sr(1), two equivalent Sr(2), and one Co(1) atom to form a mixture of distorted face, corner, and edge-sharing NSr5Co octahedra. The corner-sharing octahedral tilt angles range from 44-64°. In the third N site, N(3) is bonded in a 7-coordinate geometry to one Sr(3), one Sr(4), two equivalent Sr(1), two equivalent Sr(2), and one Co(1) atom. In the fourth N site, N(4) is bonded in a 7-coordinate geometry to one Sr(1), one Sr(2), two equivalent Sr(3), two equivalent Sr(4), and one Co(1) atom. is represented by the CIF card [CIF]
data_Sr4CoN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.449
_cell_length_b   6.596
_cell_length_c   8.624
_cell_angle_alpha   74.048
_cell_angle_beta   82.457
_cell_angle_gamma   65.087
_symmetry_Int_Tables_number   1
_cell_volume   319.836
_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  0.836  0.591  0.141  1.0
  Sr  Sr1  1  0.164  0.409  0.859  1.0
  Sr  Sr2  1  0.704  0.216  0.959  1.0
  Sr  Sr3  1  0.296  0.784  0.041  1.0
  Sr  Sr4  1  0.732  0.512  0.565  1.0
  Sr  Sr5  1  0.268  0.488  0.435  1.0
  Sr  Sr6  1  0.235  0.937  0.626  1.0
  Sr  Sr7  1  0.765  0.063  0.374  1.0
  Co  Co8  1  0.759  0.863  0.749  1.0
  Co  Co9  1  0.241  0.137  0.251  1.0
  N  N10  1  0.970  0.724  0.600  1.0
  N  N11  1  0.030  0.276  0.400  1.0
  N  N12  1  0.969  0.843  0.883  1.0
  N  N13  1  0.031  0.157  0.117  1.0
  N  N14  1  0.656  0.641  0.844  1.0
  N  N15  1  0.344  0.359  0.156  1.0
  N  N16  1  0.456  0.843  0.328  1.0
  N  N17  1  0.544  0.157  0.672  1.0
[/CIF]
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The crystal structure described by Sr4CoN4 crystallizes in the triclinic P-1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one N(1), one N(4), two equivalent N(2), and two equivalent N(3) atoms. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to one N(4), two equivalent N(2), and two equivalent N(3) atoms. In the third Sr site, Sr(3) is bonded in a 5-coordinate geometry to one N(3), two equivalent N(1), and two equivalent N(4) atoms. In the fourth Sr site, Sr(4) is bonded in a 6-coordinate geometry to one N(2), one N(3), two equivalent N(1), and two equivalent N(4) atoms. Co(1) is bonded in a tetrahedral geometry to one N(1), one N(2), one N(3), and one N(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Sr(1), two equivalent Sr(3), two equivalent Sr(4), and one Co(1) atom to form a mixture of face, corner, and edge-sharing NSr5Co octahedra. The corner-sharing octahedral tilt angles range from 44-64°. In the second N site, N(2) is bonded to one Sr(4), two equivalent Sr(1), two equivalent Sr(2), and one Co(1) atom to form a mixture of distorted face, corner, and edge-sharing NSr5Co octahedra. The corner-sharing octahedral tilt angles range from 44-64°. In the third N site, N(3) is bonded in a 7-coordinate geometry to one Sr(3), one Sr(4), two equivalent Sr(1), two equivalent Sr(2), and one Co(1) atom. In the fourth N site, N(4) is bonded in a 7-coordinate geometry to one Sr(1), one Sr(2), two equivalent Sr(3), two equivalent Sr(4), and one Co(1) atom. is represented by the CIF card [CIF]
data_Sr4CoN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.449
_cell_length_b   6.596
_cell_length_c   8.624
_cell_angle_alpha   74.048
_cell_angle_beta   82.457
_cell_angle_gamma   65.087
_symmetry_Int_Tables_number   1
_cell_volume   319.836
_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  0.836  0.591  0.141  1.0
  Sr  Sr1  1  0.164  0.409  0.859  1.0
  Sr  Sr2  1  0.704  0.216  0.959  1.0
  Sr  Sr3  1  0.296  0.784  0.041  1.0
  Sr  Sr4  1  0.732  0.512  0.565  1.0
  Sr  Sr5  1  0.268  0.488  0.435  1.0
  Sr  Sr6  1  0.235  0.937  0.626  1.0
  Sr  Sr7  1  0.765  0.063  0.374  1.0
  Co  Co8  1  0.759  0.863  0.749  1.0
  Co  Co9  1  0.241  0.137  0.251  1.0
  N  N10  1  0.970  0.724  0.600  1.0
  N  N11  1  0.030  0.276  0.400  1.0
  N  N12  1  0.969  0.843  0.883  1.0
  N  N13  1  0.031  0.157  0.117  1.0
  N  N14  1  0.656  0.641  0.844  1.0
  N  N15  1  0.344  0.359  0.156  1.0
  N  N16  1  0.456  0.843  0.328  1.0
  N  N17  1  0.544  0.157  0.672  1.0
[/CIF]
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