The structure described by Sr5(CrN3)2 crystallizes in the monoclinic C2/c space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to two equivalent N(1), 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(3), two equivalent N(1), and two equivalent N(2) atoms. In the third Sr site, Sr(3) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. Cr(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form edge-sharing CrN4 tetrahedra. There are three inequivalent N sites. In the first N site, N(2) is bonded to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one Cr(1) atom to form a mixture of distorted corner and edge-sharing NSr5Cr octahedra. The corner-sharing octahedral tilt angles range from 17-79°. In the second N site, N(3) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), and two equivalent Cr(1) atoms. In the third N site, N(1) is bonded to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one Cr(1) atom to form a mixture of distorted corner, face, and edge-sharing NSr5Cr octahedra. The corner-sharing octahedral tilt angles range from 17-79°. is represented by the CIF file [CIF]
data_Sr5(CrN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.116
_cell_length_b   6.610
_cell_length_c   13.623
_cell_angle_alpha   90.000
_cell_angle_beta   99.692
_cell_angle_gamma   122.710
_symmetry_Int_Tables_number   1
_cell_volume   453.982
_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  0.139  0.807  0.995  1.0
  Sr  Sr1  1  0.861  0.668  0.505  1.0
  Sr  Sr2  1  0.861  0.193  0.005  1.0
  Sr  Sr3  1  0.139  0.332  0.495  1.0
  Sr  Sr4  1  0.314  0.073  0.719  1.0
  Sr  Sr5  1  0.686  0.759  0.781  1.0
  Sr  Sr6  1  0.686  0.927  0.281  1.0
  Sr  Sr7  1  0.314  0.241  0.219  1.0
  Sr  Sr8  1  0.000  0.392  0.750  1.0
  Sr  Sr9  1  0.000  0.608  0.250  1.0
  Cr  Cr10  1  0.551  0.914  0.572  1.0
  Cr  Cr11  1  0.449  0.364  0.928  1.0
  Cr  Cr12  1  0.449  0.086  0.428  1.0
  Cr  Cr13  1  0.551  0.636  0.072  1.0
  N  N14  1  0.875  0.995  0.626  1.0
  N  N15  1  0.125  0.120  0.874  1.0
  N  N16  1  0.125  0.005  0.374  1.0
  N  N17  1  0.875  0.880  0.126  1.0
  N  N18  1  0.305  0.699  0.638  1.0
  N  N19  1  0.695  0.394  0.862  1.0
  N  N20  1  0.695  0.301  0.362  1.0
  N  N21  1  0.305  0.606  0.138  1.0
  N  N22  1  0.547  0.201  0.564  1.0
  N  N23  1  0.453  0.654  0.936  1.0
  N  N24  1  0.453  0.799  0.436  1.0
  N  N25  1  0.547  0.346  0.064  1.0
[/CIF]
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The structure described by Sr5(CrN3)2 crystallizes in the monoclinic C2/c space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to two equivalent N(1), 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(3), two equivalent N(1), and two equivalent N(2) atoms. In the third Sr site, Sr(3) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. Cr(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form edge-sharing CrN4 tetrahedra. There are three inequivalent N sites. In the first N site, N(2) is bonded to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one Cr(1) atom to form a mixture of distorted corner and edge-sharing NSr5Cr octahedra. The corner-sharing octahedral tilt angles range from 17-79°. In the second N site, N(3) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), and two equivalent Cr(1) atoms. In the third N site, N(1) is bonded to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one Cr(1) atom to form a mixture of distorted corner, face, and edge-sharing NSr5Cr octahedra. The corner-sharing octahedral tilt angles range from 17-79°. is represented by the CIF file [CIF]
data_Sr5(CrN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.116
_cell_length_b   6.610
_cell_length_c   13.623
_cell_angle_alpha   90.000
_cell_angle_beta   99.692
_cell_angle_gamma   122.710
_symmetry_Int_Tables_number   1
_cell_volume   453.982
_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  0.139  0.807  0.995  1.0
  Sr  Sr1  1  0.861  0.668  0.505  1.0
  Sr  Sr2  1  0.861  0.193  0.005  1.0
  Sr  Sr3  1  0.139  0.332  0.495  1.0
  Sr  Sr4  1  0.314  0.073  0.719  1.0
  Sr  Sr5  1  0.686  0.759  0.781  1.0
  Sr  Sr6  1  0.686  0.927  0.281  1.0
  Sr  Sr7  1  0.314  0.241  0.219  1.0
  Sr  Sr8  1  0.000  0.392  0.750  1.0
  Sr  Sr9  1  0.000  0.608  0.250  1.0
  Cr  Cr10  1  0.551  0.914  0.572  1.0
  Cr  Cr11  1  0.449  0.364  0.928  1.0
  Cr  Cr12  1  0.449  0.086  0.428  1.0
  Cr  Cr13  1  0.551  0.636  0.072  1.0
  N  N14  1  0.875  0.995  0.626  1.0
  N  N15  1  0.125  0.120  0.874  1.0
  N  N16  1  0.125  0.005  0.374  1.0
  N  N17  1  0.875  0.880  0.126  1.0
  N  N18  1  0.305  0.699  0.638  1.0
  N  N19  1  0.695  0.394  0.862  1.0
  N  N20  1  0.695  0.301  0.362  1.0
  N  N21  1  0.305  0.606  0.138  1.0
  N  N22  1  0.547  0.201  0.564  1.0
  N  N23  1  0.453  0.654  0.936  1.0
  N  N24  1  0.453  0.799  0.436  1.0
  N  N25  1  0.547  0.346  0.064  1.0
[/CIF]
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