The crystal structure described by Sr4MnN4 crystallizes in the triclinic P-1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to one N(1), two equivalent N(2), and two equivalent N(3) atoms. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to one N(3), one N(4), and two equivalent N(2) atoms. In the third Sr site, Sr(3) is bonded in a distorted rectangular see-saw-like geometry to one N(3), one N(4), and two equivalent N(1) atoms. In the fourth Sr site, Sr(4) is bonded in a 5-coordinate geometry to one N(3), two equivalent N(1), and two equivalent N(4) atoms. Mn(1) is bonded in a tetrahedral geometry to one N(1), one N(2), one N(3), and one N(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Sr(1), two equivalent Sr(3), two equivalent Sr(4), and one Mn(1) atom. In the second N site, N(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing NSr4Mn trigonal bipyramids. In the third N site, N(3) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), two equivalent Sr(1), and one Mn(1) atom. In the fourth N site, N(4) is bonded to one Sr(2), one Sr(3), two equivalent Sr(4), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing NSr4Mn trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4MnN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.197
_cell_length_b   6.796
_cell_length_c   9.021
_cell_angle_alpha   74.620
_cell_angle_beta   95.733
_cell_angle_gamma   84.456
_symmetry_Int_Tables_number   1
_cell_volume   361.466
_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  0.762  0.526  0.105  1.0
  Sr  Sr1  1  0.238  0.474  0.895  1.0
  Sr  Sr2  1  0.756  0.117  0.908  1.0
  Sr  Sr3  1  0.244  0.883  0.092  1.0
  Sr  Sr4  1  0.767  0.420  0.557  1.0
  Sr  Sr5  1  0.233  0.580  0.443  1.0
  Sr  Sr6  1  0.273  0.971  0.630  1.0
  Sr  Sr7  1  0.727  0.029  0.370  1.0
  Mn  Mn8  1  0.798  0.775  0.737  1.0
  Mn  Mn9  1  0.202  0.225  0.263  1.0
  N  N10  1  0.977  0.694  0.615  1.0
  N  N11  1  0.023  0.306  0.385  1.0
  N  N12  1  0.963  0.775  0.911  1.0
  N  N13  1  0.037  0.225  0.089  1.0
  N  N14  1  0.594  0.607  0.778  1.0
  N  N15  1  0.406  0.393  0.222  1.0
  N  N16  1  0.317  0.966  0.349  1.0
  N  N17  1  0.683  0.034  0.651  1.0
[/CIF]
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The crystal structure described by Sr4MnN4 crystallizes in the triclinic P-1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 5-coordinate geometry to one N(1), two equivalent N(2), and two equivalent N(3) atoms. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to one N(3), one N(4), and two equivalent N(2) atoms. In the third Sr site, Sr(3) is bonded in a distorted rectangular see-saw-like geometry to one N(3), one N(4), and two equivalent N(1) atoms. In the fourth Sr site, Sr(4) is bonded in a 5-coordinate geometry to one N(3), two equivalent N(1), and two equivalent N(4) atoms. Mn(1) is bonded in a tetrahedral geometry to one N(1), one N(2), one N(3), and one N(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Sr(1), two equivalent Sr(3), two equivalent Sr(4), and one Mn(1) atom. In the second N site, N(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing NSr4Mn trigonal bipyramids. In the third N site, N(3) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), two equivalent Sr(1), and one Mn(1) atom. In the fourth N site, N(4) is bonded to one Sr(2), one Sr(3), two equivalent Sr(4), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing NSr4Mn trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4MnN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.197
_cell_length_b   6.796
_cell_length_c   9.021
_cell_angle_alpha   74.620
_cell_angle_beta   95.733
_cell_angle_gamma   84.456
_symmetry_Int_Tables_number   1
_cell_volume   361.466
_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  0.762  0.526  0.105  1.0
  Sr  Sr1  1  0.238  0.474  0.895  1.0
  Sr  Sr2  1  0.756  0.117  0.908  1.0
  Sr  Sr3  1  0.244  0.883  0.092  1.0
  Sr  Sr4  1  0.767  0.420  0.557  1.0
  Sr  Sr5  1  0.233  0.580  0.443  1.0
  Sr  Sr6  1  0.273  0.971  0.630  1.0
  Sr  Sr7  1  0.727  0.029  0.370  1.0
  Mn  Mn8  1  0.798  0.775  0.737  1.0
  Mn  Mn9  1  0.202  0.225  0.263  1.0
  N  N10  1  0.977  0.694  0.615  1.0
  N  N11  1  0.023  0.306  0.385  1.0
  N  N12  1  0.963  0.775  0.911  1.0
  N  N13  1  0.037  0.225  0.089  1.0
  N  N14  1  0.594  0.607  0.778  1.0
  N  N15  1  0.406  0.393  0.222  1.0
  N  N16  1  0.317  0.966  0.349  1.0
  N  N17  1  0.683  0.034  0.651  1.0
[/CIF]
.