The crystal structure described by Sr3Cr3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one N(1), one N(3), one N(4), one N(5), and two equivalent N(2) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one N(1), one N(3), one N(4), and three equivalent N(5) atoms. In the third Sr site, Sr(3) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(4), and two equivalent N(3) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form a mixture of edge and corner-sharing CrN4 tetrahedra. In the second Cr site, Cr(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of edge and corner-sharing CrN4 tetrahedra. In the third Cr site, Cr(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form a mixture of edge and corner-sharing CrN4 tetrahedra. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Cr(1), one Cr(2), and one Cr(3) atom. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Sr(3), two equivalent Sr(1), one Cr(2), and one Cr(3) atom. In the third N site, N(3) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), and two equivalent Cr(1) atoms to form distorted edge-sharing NSr4Cr2 octahedra. In the fourth N site, N(4) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Cr(3), and two equivalent Cr(2) atoms. In the fifth N site, N(5) is bonded in a 2-coordinate geometry to one Sr(1), three equivalent Sr(2), one Cr(1), and one Cr(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3Cr3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.688
_cell_length_b   7.195
_cell_length_c   8.638
_cell_angle_alpha   107.879
_cell_angle_beta   103.162
_cell_angle_gamma   95.341
_symmetry_Int_Tables_number   1
_cell_volume   322.478
_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  0.813  0.421  0.611  1.0
  Sr  Sr1  1  0.187  0.579  0.389  1.0
  Sr  Sr2  1  0.662  0.868  0.882  1.0
  Sr  Sr3  1  0.338  0.132  0.118  1.0
  Sr  Sr4  1  0.652  0.680  0.209  1.0
  Sr  Sr5  1  0.348  0.320  0.791  1.0
  Cr  Cr6  1  0.914  0.323  0.973  1.0
  Cr  Cr7  1  0.086  0.677  0.027  1.0
  Cr  Cr8  1  0.691  0.961  0.572  1.0
  Cr  Cr9  1  0.309  0.039  0.428  1.0
  Cr  Cr10  1  0.097  0.887  0.700  1.0
  Cr  Cr11  1  0.903  0.113  0.300  1.0
  N  N12  1  0.927  0.114  0.782  1.0
  N  N13  1  0.073  0.886  0.218  1.0
  N  N14  1  0.822  0.728  0.520  1.0
  N  N15  1  0.178  0.272  0.480  1.0
  N  N16  1  0.768  0.530  0.922  1.0
  N  N17  1  0.232  0.470  0.078  1.0
  N  N18  1  0.373  0.938  0.616  1.0
  N  N19  1  0.627  0.062  0.384  1.0
  N  N20  1  0.162  0.785  0.871  1.0
  N  N21  1  0.838  0.215  0.129  1.0
[/CIF]
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The crystal structure described by Sr3Cr3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one N(1), one N(3), one N(4), one N(5), and two equivalent N(2) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one N(1), one N(3), one N(4), and three equivalent N(5) atoms. In the third Sr site, Sr(3) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(4), and two equivalent N(3) atoms. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form a mixture of edge and corner-sharing CrN4 tetrahedra. In the second Cr site, Cr(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of edge and corner-sharing CrN4 tetrahedra. In the third Cr site, Cr(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form a mixture of edge and corner-sharing CrN4 tetrahedra. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Cr(1), one Cr(2), and one Cr(3) atom. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Sr(3), two equivalent Sr(1), one Cr(2), and one Cr(3) atom. In the third N site, N(3) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), and two equivalent Cr(1) atoms to form distorted edge-sharing NSr4Cr2 octahedra. In the fourth N site, N(4) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Cr(3), and two equivalent Cr(2) atoms. In the fifth N site, N(5) is bonded in a 2-coordinate geometry to one Sr(1), three equivalent Sr(2), one Cr(1), and one Cr(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3Cr3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.688
_cell_length_b   7.195
_cell_length_c   8.638
_cell_angle_alpha   107.879
_cell_angle_beta   103.162
_cell_angle_gamma   95.341
_symmetry_Int_Tables_number   1
_cell_volume   322.478
_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  0.813  0.421  0.611  1.0
  Sr  Sr1  1  0.187  0.579  0.389  1.0
  Sr  Sr2  1  0.662  0.868  0.882  1.0
  Sr  Sr3  1  0.338  0.132  0.118  1.0
  Sr  Sr4  1  0.652  0.680  0.209  1.0
  Sr  Sr5  1  0.348  0.320  0.791  1.0
  Cr  Cr6  1  0.914  0.323  0.973  1.0
  Cr  Cr7  1  0.086  0.677  0.027  1.0
  Cr  Cr8  1  0.691  0.961  0.572  1.0
  Cr  Cr9  1  0.309  0.039  0.428  1.0
  Cr  Cr10  1  0.097  0.887  0.700  1.0
  Cr  Cr11  1  0.903  0.113  0.300  1.0
  N  N12  1  0.927  0.114  0.782  1.0
  N  N13  1  0.073  0.886  0.218  1.0
  N  N14  1  0.822  0.728  0.520  1.0
  N  N15  1  0.178  0.272  0.480  1.0
  N  N16  1  0.768  0.530  0.922  1.0
  N  N17  1  0.232  0.470  0.078  1.0
  N  N18  1  0.373  0.938  0.616  1.0
  N  N19  1  0.627  0.062  0.384  1.0
  N  N20  1  0.162  0.785  0.871  1.0
  N  N21  1  0.838  0.215  0.129  1.0
[/CIF]
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