The material described by Sr4SnN4 crystallizes in the orthorhombic Pnma space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted water-like geometry to three equivalent Sn(1) and two equivalent N(3) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to two equivalent Sn(1), two equivalent N(4), and three equivalent N(2) atoms. In the third Sr site, Sr(3) is bonded in a 3-coordinate geometry to two equivalent Sn(1), one N(4), and two equivalent N(1) atoms. In the fourth Sr site, Sr(4) is bonded in a 7-coordinate geometry to one Sn(1), one N(1), one N(3), two equivalent N(2), and two equivalent N(4) atoms. Sn(1) is bonded in a 8-coordinate geometry to one Sr(4), two equivalent Sr(2), two equivalent Sr(3), and three equivalent Sr(1) atoms. There are four inequivalent N sites. In the first N site, N(4) is bonded in a 6-coordinate geometry to one Sr(3), two equivalent Sr(2), two equivalent Sr(4), and one N(2) atom. In the second N site, N(1) is bonded to one Sr(4), two equivalent Sr(3), and one N(3) atom to form distorted NSr3N trigonal pyramids that share corners with two equivalent N(2)Sr5N octahedra and corners with two equivalent N(1)Sr3N trigonal pyramids. The corner-sharing octahedral tilt angles are 47°. In the third N site, N(2) is bonded to two equivalent Sr(4), three equivalent Sr(2), and one N(4) atom to form distorted NSr5N octahedra that share corners with two equivalent N(1)Sr3N trigonal pyramids and edges with four equivalent N(2)Sr5N octahedra. In the fourth N site, N(3) is bonded in a 4-coordinate geometry to one Sr(4), two equivalent Sr(1), and one N(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4SnN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.097
_cell_length_b   3.837
_cell_length_c   17.166
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   862.725
_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  0.549  0.250  0.903  1.0
  Sr  Sr1  1  0.049  0.250  0.597  1.0
  Sr  Sr2  1  0.451  0.750  0.097  1.0
  Sr  Sr3  1  0.951  0.750  0.403  1.0
  Sr  Sr4  1  0.625  0.250  0.467  1.0
  Sr  Sr5  1  0.125  0.250  0.033  1.0
  Sr  Sr6  1  0.375  0.750  0.533  1.0
  Sr  Sr7  1  0.875  0.750  0.967  1.0
  Sr  Sr8  1  0.827  0.250  0.754  1.0
  Sr  Sr9  1  0.327  0.250  0.746  1.0
  Sr  Sr10  1  0.173  0.750  0.246  1.0
  Sr  Sr11  1  0.673  0.750  0.254  1.0
  Sr  Sr12  1  0.916  0.250  0.166  1.0
  Sr  Sr13  1  0.416  0.250  0.334  1.0
  Sr  Sr14  1  0.084  0.750  0.834  1.0
  Sr  Sr15  1  0.584  0.750  0.666  1.0
  Sn  Sn16  1  0.683  0.250  0.075  1.0
  Sn  Sn17  1  0.183  0.250  0.425  1.0
  Sn  Sn18  1  0.317  0.750  0.925  1.0
  Sn  Sn19  1  0.817  0.750  0.575  1.0
  N  N20  1  0.293  0.250  0.205  1.0
  N  N21  1  0.793  0.250  0.295  1.0
  N  N22  1  0.707  0.750  0.795  1.0
  N  N23  1  0.207  0.750  0.705  1.0
  N  N24  1  0.008  0.250  0.922  1.0
  N  N25  1  0.508  0.250  0.578  1.0
  N  N26  1  0.992  0.750  0.078  1.0
  N  N27  1  0.492  0.750  0.422  1.0
  N  N28  1  0.884  0.250  0.320  1.0
  N  N29  1  0.384  0.250  0.180  1.0
  N  N30  1  0.116  0.750  0.680  1.0
  N  N31  1  0.616  0.750  0.820  1.0
  N  N32  1  0.945  0.250  0.862  1.0
  N  N33  1  0.445  0.250  0.638  1.0
  N  N34  1  0.055  0.750  0.138  1.0
  N  N35  1  0.555  0.750  0.362  1.0
[/CIF]
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The material described by Sr4SnN4 crystallizes in the orthorhombic Pnma space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted water-like geometry to three equivalent Sn(1) and two equivalent N(3) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to two equivalent Sn(1), two equivalent N(4), and three equivalent N(2) atoms. In the third Sr site, Sr(3) is bonded in a 3-coordinate geometry to two equivalent Sn(1), one N(4), and two equivalent N(1) atoms. In the fourth Sr site, Sr(4) is bonded in a 7-coordinate geometry to one Sn(1), one N(1), one N(3), two equivalent N(2), and two equivalent N(4) atoms. Sn(1) is bonded in a 8-coordinate geometry to one Sr(4), two equivalent Sr(2), two equivalent Sr(3), and three equivalent Sr(1) atoms. There are four inequivalent N sites. In the first N site, N(4) is bonded in a 6-coordinate geometry to one Sr(3), two equivalent Sr(2), two equivalent Sr(4), and one N(2) atom. In the second N site, N(1) is bonded to one Sr(4), two equivalent Sr(3), and one N(3) atom to form distorted NSr3N trigonal pyramids that share corners with two equivalent N(2)Sr5N octahedra and corners with two equivalent N(1)Sr3N trigonal pyramids. The corner-sharing octahedral tilt angles are 47°. In the third N site, N(2) is bonded to two equivalent Sr(4), three equivalent Sr(2), and one N(4) atom to form distorted NSr5N octahedra that share corners with two equivalent N(1)Sr3N trigonal pyramids and edges with four equivalent N(2)Sr5N octahedra. In the fourth N site, N(3) is bonded in a 4-coordinate geometry to one Sr(4), two equivalent Sr(1), and one N(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr4SnN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.097
_cell_length_b   3.837
_cell_length_c   17.166
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   862.725
_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  0.549  0.250  0.903  1.0
  Sr  Sr1  1  0.049  0.250  0.597  1.0
  Sr  Sr2  1  0.451  0.750  0.097  1.0
  Sr  Sr3  1  0.951  0.750  0.403  1.0
  Sr  Sr4  1  0.625  0.250  0.467  1.0
  Sr  Sr5  1  0.125  0.250  0.033  1.0
  Sr  Sr6  1  0.375  0.750  0.533  1.0
  Sr  Sr7  1  0.875  0.750  0.967  1.0
  Sr  Sr8  1  0.827  0.250  0.754  1.0
  Sr  Sr9  1  0.327  0.250  0.746  1.0
  Sr  Sr10  1  0.173  0.750  0.246  1.0
  Sr  Sr11  1  0.673  0.750  0.254  1.0
  Sr  Sr12  1  0.916  0.250  0.166  1.0
  Sr  Sr13  1  0.416  0.250  0.334  1.0
  Sr  Sr14  1  0.084  0.750  0.834  1.0
  Sr  Sr15  1  0.584  0.750  0.666  1.0
  Sn  Sn16  1  0.683  0.250  0.075  1.0
  Sn  Sn17  1  0.183  0.250  0.425  1.0
  Sn  Sn18  1  0.317  0.750  0.925  1.0
  Sn  Sn19  1  0.817  0.750  0.575  1.0
  N  N20  1  0.293  0.250  0.205  1.0
  N  N21  1  0.793  0.250  0.295  1.0
  N  N22  1  0.707  0.750  0.795  1.0
  N  N23  1  0.207  0.750  0.705  1.0
  N  N24  1  0.008  0.250  0.922  1.0
  N  N25  1  0.508  0.250  0.578  1.0
  N  N26  1  0.992  0.750  0.078  1.0
  N  N27  1  0.492  0.750  0.422  1.0
  N  N28  1  0.884  0.250  0.320  1.0
  N  N29  1  0.384  0.250  0.180  1.0
  N  N30  1  0.116  0.750  0.680  1.0
  N  N31  1  0.616  0.750  0.820  1.0
  N  N32  1  0.945  0.250  0.862  1.0
  N  N33  1  0.445  0.250  0.638  1.0
  N  N34  1  0.055  0.750  0.138  1.0
  N  N35  1  0.555  0.750  0.362  1.0
[/CIF]
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