The compound described by Sr6CoC2N7 crystallizes in the orthorhombic P2_12_12 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one N(2), one N(3), two equivalent N(1), and two equivalent N(4) atoms to form a mixture of distorted corner and edge-sharing SrN6 octahedra. The corner-sharing octahedra are not tilted. In the second Sr site, Sr(2) is bonded in a 3-coordinate geometry to one N(4) and two equivalent N(2) atoms. In the third Sr site, Sr(3) is bonded in a 4-coordinate geometry to one N(1), one N(3), and two equivalent N(2) atoms. Co(1) is bonded in a linear geometry to two equivalent N(2) atoms. C(1) is bonded in a linear geometry to one N(3) and one N(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Sr(3) and four equivalent Sr(1) atoms to form NSr6 octahedra that share edges with two equivalent N(1)Sr6 octahedra and edges with four equivalent N(2)Sr5Co octahedra. In the second N site, N(2) is bonded to one Sr(1), two equivalent Sr(2), two equivalent Sr(3), and one Co(1) atom to form distorted NSr5Co octahedra that share  a cornercorner with one N(2)Sr5Co octahedra, edges with two equivalent N(2)Sr5Co octahedra, and edges with two equivalent N(1)Sr6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the third N site, N(3) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(3), and one C(1) atom. In the fourth N site, N(4) is bonded in a 1-coordinate geometry to one Sr(2), two equivalent Sr(1), and one C(1) atom. is represented by the CIF card [CIF]
data_Sr6CoC2N7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.870
_cell_length_b   9.893
_cell_length_c   14.691
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   562.454
_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  0.060  0.428  0.890  1.0
  Sr  Sr1  1  0.060  0.572  0.110  1.0
  Sr  Sr2  1  0.940  0.928  0.610  1.0
  Sr  Sr3  1  0.940  0.072  0.390  1.0
  Sr  Sr4  1  0.494  0.095  0.836  1.0
  Sr  Sr5  1  0.494  0.905  0.164  1.0
  Sr  Sr6  1  0.506  0.595  0.664  1.0
  Sr  Sr7  1  0.506  0.405  0.336  1.0
  Sr  Sr8  1  0.441  0.246  0.558  1.0
  Sr  Sr9  1  0.441  0.754  0.442  1.0
  Sr  Sr10  1  0.559  0.746  0.942  1.0
  Sr  Sr11  1  0.559  0.254  0.058  1.0
  Co  Co12  1  0.977  0.500  0.500  1.0
  Co  Co13  1  0.023  0.000  0.000  1.0
  C  C14  1  0.816  0.272  0.720  1.0
  C  C15  1  0.816  0.728  0.280  1.0
  C  C16  1  0.184  0.772  0.780  1.0
  C  C17  1  0.184  0.228  0.220  1.0
  N  N18  1  0.564  0.500  0.000  1.0
  N  N19  1  0.436  0.000  0.500  1.0
  N  N20  1  0.029  0.167  0.946  1.0
  N  N21  1  0.029  0.833  0.054  1.0
  N  N22  1  0.971  0.667  0.554  1.0
  N  N23  1  0.971  0.333  0.446  1.0
  N  N24  1  0.970  0.169  0.694  1.0
  N  N25  1  0.970  0.831  0.306  1.0
  N  N26  1  0.030  0.669  0.806  1.0
  N  N27  1  0.030  0.331  0.194  1.0
  N  N28  1  0.635  0.366  0.749  1.0
  N  N29  1  0.635  0.634  0.251  1.0
  N  N30  1  0.365  0.866  0.751  1.0
  N  N31  1  0.365  0.134  0.249  1.0
[/CIF]
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The compound described by Sr6CoC2N7 crystallizes in the orthorhombic P2_12_12 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one N(2), one N(3), two equivalent N(1), and two equivalent N(4) atoms to form a mixture of distorted corner and edge-sharing SrN6 octahedra. The corner-sharing octahedra are not tilted. In the second Sr site, Sr(2) is bonded in a 3-coordinate geometry to one N(4) and two equivalent N(2) atoms. In the third Sr site, Sr(3) is bonded in a 4-coordinate geometry to one N(1), one N(3), and two equivalent N(2) atoms. Co(1) is bonded in a linear geometry to two equivalent N(2) atoms. C(1) is bonded in a linear geometry to one N(3) and one N(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Sr(3) and four equivalent Sr(1) atoms to form NSr6 octahedra that share edges with two equivalent N(1)Sr6 octahedra and edges with four equivalent N(2)Sr5Co octahedra. In the second N site, N(2) is bonded to one Sr(1), two equivalent Sr(2), two equivalent Sr(3), and one Co(1) atom to form distorted NSr5Co octahedra that share  a cornercorner with one N(2)Sr5Co octahedra, edges with two equivalent N(2)Sr5Co octahedra, and edges with two equivalent N(1)Sr6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the third N site, N(3) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(3), and one C(1) atom. In the fourth N site, N(4) is bonded in a 1-coordinate geometry to one Sr(2), two equivalent Sr(1), and one C(1) atom. is represented by the CIF card [CIF]
data_Sr6CoC2N7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.870
_cell_length_b   9.893
_cell_length_c   14.691
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   562.454
_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  0.060  0.428  0.890  1.0
  Sr  Sr1  1  0.060  0.572  0.110  1.0
  Sr  Sr2  1  0.940  0.928  0.610  1.0
  Sr  Sr3  1  0.940  0.072  0.390  1.0
  Sr  Sr4  1  0.494  0.095  0.836  1.0
  Sr  Sr5  1  0.494  0.905  0.164  1.0
  Sr  Sr6  1  0.506  0.595  0.664  1.0
  Sr  Sr7  1  0.506  0.405  0.336  1.0
  Sr  Sr8  1  0.441  0.246  0.558  1.0
  Sr  Sr9  1  0.441  0.754  0.442  1.0
  Sr  Sr10  1  0.559  0.746  0.942  1.0
  Sr  Sr11  1  0.559  0.254  0.058  1.0
  Co  Co12  1  0.977  0.500  0.500  1.0
  Co  Co13  1  0.023  0.000  0.000  1.0
  C  C14  1  0.816  0.272  0.720  1.0
  C  C15  1  0.816  0.728  0.280  1.0
  C  C16  1  0.184  0.772  0.780  1.0
  C  C17  1  0.184  0.228  0.220  1.0
  N  N18  1  0.564  0.500  0.000  1.0
  N  N19  1  0.436  0.000  0.500  1.0
  N  N20  1  0.029  0.167  0.946  1.0
  N  N21  1  0.029  0.833  0.054  1.0
  N  N22  1  0.971  0.667  0.554  1.0
  N  N23  1  0.971  0.333  0.446  1.0
  N  N24  1  0.970  0.169  0.694  1.0
  N  N25  1  0.970  0.831  0.306  1.0
  N  N26  1  0.030  0.669  0.806  1.0
  N  N27  1  0.030  0.331  0.194  1.0
  N  N28  1  0.635  0.366  0.749  1.0
  N  N29  1  0.635  0.634  0.251  1.0
  N  N30  1  0.365  0.866  0.751  1.0
  N  N31  1  0.365  0.134  0.249  1.0
[/CIF]
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