The material structure described by Sr2CrN2 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to two equivalent N(2) and three equivalent N(1) atoms. In the second Sr site, Sr(2) is bonded to two equivalent N(1) and three equivalent N(2) atoms to form a mixture of distorted edge and corner-sharing SrN5 square pyramids. Cr(1) is bonded in a bent 120 degrees geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Sr(2), three equivalent Sr(1), and one Cr(1) atom to form a mixture of distorted edge and corner-sharing NSr5Cr octahedra. The corner-sharing octahedral tilt angles range from 19-60°. In the second N site, N(2) is bonded to two equivalent Sr(1), three equivalent Sr(2), and one Cr(1) atom to form a mixture of distorted edge and corner-sharing NSr5Cr octahedra. The corner-sharing octahedral tilt angles range from 9-60°. is represented by the CIF card [CIF]
data_Sr2CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.330
_cell_length_b   11.498
_cell_length_c   12.450
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   24.735
_symmetry_Int_Tables_number   1
_cell_volume   379.135
_cell_formula_units_Z   4
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  0.000  0.447  0.856  1.0
  Sr  Sr1  1  0.000  0.553  0.144  1.0
  Sr  Sr2  1  0.000  0.053  0.356  1.0
  Sr  Sr3  1  0.000  0.947  0.644  1.0
  Sr  Sr4  1  0.000  0.146  0.931  1.0
  Sr  Sr5  1  0.000  0.854  0.069  1.0
  Sr  Sr6  1  0.000  0.354  0.431  1.0
  Sr  Sr7  1  0.000  0.646  0.569  1.0
  Cr  Cr8  1  0.000  0.262  0.673  1.0
  Cr  Cr9  1  0.000  0.738  0.327  1.0
  Cr  Cr10  1  0.000  0.238  0.173  1.0
  Cr  Cr11  1  0.000  0.762  0.827  1.0
  N  N12  1  0.000  0.408  0.640  1.0
  N  N13  1  0.000  0.592  0.360  1.0
  N  N14  1  0.000  0.092  0.140  1.0
  N  N15  1  0.000  0.908  0.860  1.0
  N  N16  1  0.000  0.163  0.569  1.0
  N  N17  1  0.000  0.837  0.431  1.0
  N  N18  1  0.000  0.337  0.069  1.0
  N  N19  1  0.000  0.663  0.931  1.0
[/CIF]
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The material structure described by Sr2CrN2 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to two equivalent N(2) and three equivalent N(1) atoms. In the second Sr site, Sr(2) is bonded to two equivalent N(1) and three equivalent N(2) atoms to form a mixture of distorted edge and corner-sharing SrN5 square pyramids. Cr(1) is bonded in a bent 120 degrees geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Sr(2), three equivalent Sr(1), and one Cr(1) atom to form a mixture of distorted edge and corner-sharing NSr5Cr octahedra. The corner-sharing octahedral tilt angles range from 19-60°. In the second N site, N(2) is bonded to two equivalent Sr(1), three equivalent Sr(2), and one Cr(1) atom to form a mixture of distorted edge and corner-sharing NSr5Cr octahedra. The corner-sharing octahedral tilt angles range from 9-60°. is represented by the CIF card [CIF]
data_Sr2CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.330
_cell_length_b   11.498
_cell_length_c   12.450
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   24.735
_symmetry_Int_Tables_number   1
_cell_volume   379.135
_cell_formula_units_Z   4
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  0.000  0.447  0.856  1.0
  Sr  Sr1  1  0.000  0.553  0.144  1.0
  Sr  Sr2  1  0.000  0.053  0.356  1.0
  Sr  Sr3  1  0.000  0.947  0.644  1.0
  Sr  Sr4  1  0.000  0.146  0.931  1.0
  Sr  Sr5  1  0.000  0.854  0.069  1.0
  Sr  Sr6  1  0.000  0.354  0.431  1.0
  Sr  Sr7  1  0.000  0.646  0.569  1.0
  Cr  Cr8  1  0.000  0.262  0.673  1.0
  Cr  Cr9  1  0.000  0.738  0.327  1.0
  Cr  Cr10  1  0.000  0.238  0.173  1.0
  Cr  Cr11  1  0.000  0.762  0.827  1.0
  N  N12  1  0.000  0.408  0.640  1.0
  N  N13  1  0.000  0.592  0.360  1.0
  N  N14  1  0.000  0.092  0.140  1.0
  N  N15  1  0.000  0.908  0.860  1.0
  N  N16  1  0.000  0.163  0.569  1.0
  N  N17  1  0.000  0.837  0.431  1.0
  N  N18  1  0.000  0.337  0.069  1.0
  N  N19  1  0.000  0.663  0.931  1.0
[/CIF]
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