The compound described by Sr2MnN2 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent N(2) and three equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to two equivalent N(1) and three equivalent N(2) atoms. Mn(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 Mn(1) atom to form a mixture of distorted corner and edge-sharing NSr5Mn octahedra. The corner-sharing octahedral tilt angles are 14°. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), three equivalent Sr(2), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2MnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.347
_cell_length_b   11.467
_cell_length_c   12.319
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   25.393
_symmetry_Int_Tables_number   1
_cell_volume   384.459
_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  0.445  0.861  1.0
  Sr  Sr1  1  0.000  0.555  0.139  1.0
  Sr  Sr2  1  0.000  0.055  0.361  1.0
  Sr  Sr3  1  0.000  0.945  0.639  1.0
  Sr  Sr4  1  0.000  0.140  0.928  1.0
  Sr  Sr5  1  0.000  0.860  0.072  1.0
  Sr  Sr6  1  0.000  0.360  0.428  1.0
  Sr  Sr7  1  0.000  0.640  0.572  1.0
  Mn  Mn8  1  0.000  0.265  0.666  1.0
  Mn  Mn9  1  0.000  0.735  0.334  1.0
  Mn  Mn10  1  0.000  0.235  0.166  1.0
  Mn  Mn11  1  0.000  0.765  0.834  1.0
  N  N12  1  0.000  0.416  0.636  1.0
  N  N13  1  0.000  0.584  0.364  1.0
  N  N14  1  0.000  0.084  0.136  1.0
  N  N15  1  0.000  0.916  0.864  1.0
  N  N16  1  0.000  0.155  0.566  1.0
  N  N17  1  0.000  0.845  0.434  1.0
  N  N18  1  0.000  0.345  0.066  1.0
  N  N19  1  0.000  0.655  0.934  1.0
[/CIF]
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The compound described by Sr2MnN2 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent N(2) and three equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. In the second Sr site, Sr(2) is bonded in a 5-coordinate geometry to two equivalent N(1) and three equivalent N(2) atoms. Mn(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 Mn(1) atom to form a mixture of distorted corner and edge-sharing NSr5Mn octahedra. The corner-sharing octahedral tilt angles are 14°. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), three equivalent Sr(2), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2MnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.347
_cell_length_b   11.467
_cell_length_c   12.319
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   25.393
_symmetry_Int_Tables_number   1
_cell_volume   384.459
_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  0.445  0.861  1.0
  Sr  Sr1  1  0.000  0.555  0.139  1.0
  Sr  Sr2  1  0.000  0.055  0.361  1.0
  Sr  Sr3  1  0.000  0.945  0.639  1.0
  Sr  Sr4  1  0.000  0.140  0.928  1.0
  Sr  Sr5  1  0.000  0.860  0.072  1.0
  Sr  Sr6  1  0.000  0.360  0.428  1.0
  Sr  Sr7  1  0.000  0.640  0.572  1.0
  Mn  Mn8  1  0.000  0.265  0.666  1.0
  Mn  Mn9  1  0.000  0.735  0.334  1.0
  Mn  Mn10  1  0.000  0.235  0.166  1.0
  Mn  Mn11  1  0.000  0.765  0.834  1.0
  N  N12  1  0.000  0.416  0.636  1.0
  N  N13  1  0.000  0.584  0.364  1.0
  N  N14  1  0.000  0.084  0.136  1.0
  N  N15  1  0.000  0.916  0.864  1.0
  N  N16  1  0.000  0.155  0.566  1.0
  N  N17  1  0.000  0.845  0.434  1.0
  N  N18  1  0.000  0.345  0.066  1.0
  N  N19  1  0.000  0.655  0.934  1.0
[/CIF]
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