The material described by Sn5Si2N6 crystallizes in the monoclinic C2/c space group. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a water-like geometry to two equivalent N(1) atoms. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(3) atoms. In the third Sn site, Sn(3) is bonded in a distorted T-shaped geometry to one N(1), one N(2), and one N(3) atom. Si(1) is bonded to one N(1), one N(3), and two equivalent N(2) atoms to form edge-sharing SiN4 tetrahedra. There are three inequivalent N sites. In the first N site, N(2) is bonded in a 3-coordinate geometry to one Sn(3) and two equivalent Si(1) atoms. In the second N site, N(3) is bonded in a 4-coordinate geometry to one Sn(3), two equivalent Sn(2), and one Si(1) atom. In the third N site, N(1) is bonded in a rectangular see-saw-like geometry to one Sn(1), one Sn(2), one Sn(3), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Si2Sn5N6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.609
_cell_length_b   7.820
_cell_length_c   15.613
_cell_angle_alpha   90.000
_cell_angle_beta   83.432
_cell_angle_gamma   134.195
_symmetry_Int_Tables_number   1
_cell_volume   484.687
_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
  Si  Si0  1  0.529  0.946  0.569  1.0
  Si  Si1  1  0.471  0.417  0.931  1.0
  Si  Si2  1  0.471  0.054  0.431  1.0
  Si  Si3  1  0.529  0.583  0.069  1.0
  Sn  Sn4  1  0.000  0.552  0.750  1.0
  Sn  Sn5  1  0.000  0.448  0.250  1.0
  Sn  Sn6  1  0.176  0.883  0.953  1.0
  Sn  Sn7  1  0.824  0.707  0.547  1.0
  Sn  Sn8  1  0.824  0.117  0.047  1.0
  Sn  Sn9  1  0.176  0.293  0.453  1.0
  Sn  Sn10  1  0.327  0.181  0.649  1.0
  Sn  Sn11  1  0.673  0.854  0.851  1.0
  Sn  Sn12  1  0.673  0.819  0.351  1.0
  Sn  Sn13  1  0.327  0.146  0.149  1.0
  N  N14  1  0.192  0.828  0.651  1.0
  N  N15  1  0.808  0.636  0.849  1.0
  N  N16  1  0.808  0.172  0.349  1.0
  N  N17  1  0.192  0.364  0.151  1.0
  N  N18  1  0.619  0.201  0.526  1.0
  N  N19  1  0.381  0.582  0.974  1.0
  N  N20  1  0.381  0.799  0.474  1.0
  N  N21  1  0.619  0.418  0.026  1.0
  N  N22  1  0.890  0.017  0.585  1.0
  N  N23  1  0.110  0.128  0.915  1.0
  N  N24  1  0.110  0.983  0.415  1.0
  N  N25  1  0.890  0.872  0.085  1.0
[/CIF]
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The material described by Sn5Si2N6 crystallizes in the monoclinic C2/c space group. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a water-like geometry to two equivalent N(1) atoms. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one N(1) and two equivalent N(3) atoms. In the third Sn site, Sn(3) is bonded in a distorted T-shaped geometry to one N(1), one N(2), and one N(3) atom. Si(1) is bonded to one N(1), one N(3), and two equivalent N(2) atoms to form edge-sharing SiN4 tetrahedra. There are three inequivalent N sites. In the first N site, N(2) is bonded in a 3-coordinate geometry to one Sn(3) and two equivalent Si(1) atoms. In the second N site, N(3) is bonded in a 4-coordinate geometry to one Sn(3), two equivalent Sn(2), and one Si(1) atom. In the third N site, N(1) is bonded in a rectangular see-saw-like geometry to one Sn(1), one Sn(2), one Sn(3), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Si2Sn5N6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.609
_cell_length_b   7.820
_cell_length_c   15.613
_cell_angle_alpha   90.000
_cell_angle_beta   83.432
_cell_angle_gamma   134.195
_symmetry_Int_Tables_number   1
_cell_volume   484.687
_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
  Si  Si0  1  0.529  0.946  0.569  1.0
  Si  Si1  1  0.471  0.417  0.931  1.0
  Si  Si2  1  0.471  0.054  0.431  1.0
  Si  Si3  1  0.529  0.583  0.069  1.0
  Sn  Sn4  1  0.000  0.552  0.750  1.0
  Sn  Sn5  1  0.000  0.448  0.250  1.0
  Sn  Sn6  1  0.176  0.883  0.953  1.0
  Sn  Sn7  1  0.824  0.707  0.547  1.0
  Sn  Sn8  1  0.824  0.117  0.047  1.0
  Sn  Sn9  1  0.176  0.293  0.453  1.0
  Sn  Sn10  1  0.327  0.181  0.649  1.0
  Sn  Sn11  1  0.673  0.854  0.851  1.0
  Sn  Sn12  1  0.673  0.819  0.351  1.0
  Sn  Sn13  1  0.327  0.146  0.149  1.0
  N  N14  1  0.192  0.828  0.651  1.0
  N  N15  1  0.808  0.636  0.849  1.0
  N  N16  1  0.808  0.172  0.349  1.0
  N  N17  1  0.192  0.364  0.151  1.0
  N  N18  1  0.619  0.201  0.526  1.0
  N  N19  1  0.381  0.582  0.974  1.0
  N  N20  1  0.381  0.799  0.474  1.0
  N  N21  1  0.619  0.418  0.026  1.0
  N  N22  1  0.890  0.017  0.585  1.0
  N  N23  1  0.110  0.128  0.915  1.0
  N  N24  1  0.110  0.983  0.415  1.0
  N  N25  1  0.890  0.872  0.085  1.0
[/CIF]
.