The material described by Si3NCl9 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two Si3NCl9 clusters. In one of the Si3NCl9 clusters, there are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(1), one Cl(13), one Cl(3), and one Cl(9) atom to form corner-sharing SiNCl3 tetrahedra. In the second Si site, Si(4) is bonded to one N(1), one Cl(1), one Cl(11), and one Cl(15) atom to form corner-sharing SiNCl3 tetrahedra. In the third Si site, Si(5) is bonded to one N(1), one Cl(17), one Cl(5), and one Cl(7) atom to form corner-sharing SiNCl3 tetrahedra. N(1) is bonded in a trigonal planar geometry to one Si(1), one Si(4), and one Si(5) atom. There are nine inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Si(4) atom. In the second Cl site, Cl(3) is bonded in a single-bond geometry to one Si(1) atom. In the third Cl site, Cl(5) is bonded in a single-bond geometry to one Si(5) atom. In the fourth Cl site, Cl(7) is bonded in a single-bond geometry to one Si(5) atom. In the fifth Cl site, Cl(9) is bonded in a single-bond geometry to one Si(1) atom. In the sixth Cl site, Cl(11) is bonded in a single-bond geometry to one Si(4) atom. In the seventh Cl site, Cl(13) is bonded in a single-bond geometry to one Si(1) atom. In the eighth Cl site, Cl(15) is bonded in a single-bond geometry to one Si(4) atom. In the ninth Cl site, Cl(17) is bonded in a single-bond geometry to one Si(5) atom. In one of the Si3NCl9 clusters, there are three inequivalent Si sites. In the first Si site, Si(2) is bonded to one N(2), one Cl(10), one Cl(14), and one Cl(8) atom to form corner-sharing SiNCl3 tetrahedra. In the second Si site, Si(3) is bonded to one N(2), one Cl(16), one Cl(2), and one Cl(4) atom to form corner-sharing SiNCl3 tetrahedra. In the third Si site, Si(6) is bonded to one N(2), one Cl(12), one Cl(18), and one Cl(6) atom to form corner-sharing SiNCl3 tetrahedra. N(2) is bonded in a trigonal planar geometry to one Si(2), one Si(3), and one Si(6) atom. There are nine inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a single-bond geometry to one Si(3) atom. In the second Cl site, Cl(4) is bonded in a single-bond geometry to one Si(3) atom. In the third Cl site, Cl(6) is bonded in a single-bond geometry to one Si(6) atom. In the fourth Cl site, Cl(8) is bonded in a single-bond geometry to one Si(2) atom. In the fifth Cl site, Cl(10) is bonded in a single-bond geometry to one Si(2) atom. In the sixth Cl site, Cl(12) is bonded in a single-bond geometry to one Si(6) atom. In the seventh Cl site, Cl(14) is bonded in a single-bond geometry to one Si(2) atom. In the eighth Cl site, Cl(16) is bonded in a single-bond geometry to one Si(3) atom. In the ninth Cl site, Cl(18) is bonded in a single-bond geometry to one Si(6) atom. is represented by the CIF card [CIF]
data_Si3NCl9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.839
_cell_length_b   8.879
_cell_length_c   14.618
_cell_angle_alpha   93.079
_cell_angle_beta   99.770
_cell_angle_gamma   112.178
_symmetry_Int_Tables_number   1
_cell_volume   803.262
_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  0.954  0.116  0.829  1.0
  Si  Si1  1  0.171  0.937  0.249  1.0
  Si  Si2  1  0.795  0.628  0.147  1.0
  Si  Si3  1  0.222  0.460  0.790  1.0
  Si  Si4  1  0.861  0.221  0.637  1.0
  Si  Si5  1  0.996  0.639  0.351  1.0
  N  N6  1  0.010  0.266  0.753  1.0
  N  N7  1  0.990  0.734  0.249  1.0
  Cl  Cl8  1  0.513  0.442  0.829  1.0
  Cl  Cl9  1  0.488  0.564  0.167  1.0
  Cl  Cl10  1  0.160  0.202  0.956  1.0
  Cl  Cl11  1  0.822  0.775  0.043  1.0
  Cl  Cl12  1  0.708  0.376  0.607  1.0
  Cl  Cl13  1  0.279  0.612  0.393  1.0
  Cl  Cl14  1  0.621  0.991  0.616  1.0
  Cl  Cl15  1  0.381  0.022  0.375  1.0
  Cl  Cl16  1  0.653  0.049  0.857  1.0
  Cl  Cl17  1  0.359  0.956  0.152  1.0
  Cl  Cl18  1  0.254  0.601  0.683  1.0
  Cl  Cl19  1  0.762  0.408  0.329  1.0
  Cl  Cl20  1  0.999  0.914  0.779  1.0
  Cl  Cl21  1  0.015  0.093  0.231  1.0
  Cl  Cl22  1  0.163  0.585  0.896  1.0
  Cl  Cl23  1  0.839  0.426  0.098  1.0
  Cl  Cl24  1  0.050  0.220  0.543  1.0
  Cl  Cl25  1  0.936  0.764  0.457  1.0
[/CIF]
.
The material described by Si3NCl9 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two Si3NCl9 clusters. In one of the Si3NCl9 clusters, there are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(1), one Cl(13), one Cl(3), and one Cl(9) atom to form corner-sharing SiNCl3 tetrahedra. In the second Si site, Si(4) is bonded to one N(1), one Cl(1), one Cl(11), and one Cl(15) atom to form corner-sharing SiNCl3 tetrahedra. In the third Si site, Si(5) is bonded to one N(1), one Cl(17), one Cl(5), and one Cl(7) atom to form corner-sharing SiNCl3 tetrahedra. N(1) is bonded in a trigonal planar geometry to one Si(1), one Si(4), and one Si(5) atom. There are nine inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Si(4) atom. In the second Cl site, Cl(3) is bonded in a single-bond geometry to one Si(1) atom. In the third Cl site, Cl(5) is bonded in a single-bond geometry to one Si(5) atom. In the fourth Cl site, Cl(7) is bonded in a single-bond geometry to one Si(5) atom. In the fifth Cl site, Cl(9) is bonded in a single-bond geometry to one Si(1) atom. In the sixth Cl site, Cl(11) is bonded in a single-bond geometry to one Si(4) atom. In the seventh Cl site, Cl(13) is bonded in a single-bond geometry to one Si(1) atom. In the eighth Cl site, Cl(15) is bonded in a single-bond geometry to one Si(4) atom. In the ninth Cl site, Cl(17) is bonded in a single-bond geometry to one Si(5) atom. In one of the Si3NCl9 clusters, there are three inequivalent Si sites. In the first Si site, Si(2) is bonded to one N(2), one Cl(10), one Cl(14), and one Cl(8) atom to form corner-sharing SiNCl3 tetrahedra. In the second Si site, Si(3) is bonded to one N(2), one Cl(16), one Cl(2), and one Cl(4) atom to form corner-sharing SiNCl3 tetrahedra. In the third Si site, Si(6) is bonded to one N(2), one Cl(12), one Cl(18), and one Cl(6) atom to form corner-sharing SiNCl3 tetrahedra. N(2) is bonded in a trigonal planar geometry to one Si(2), one Si(3), and one Si(6) atom. There are nine inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a single-bond geometry to one Si(3) atom. In the second Cl site, Cl(4) is bonded in a single-bond geometry to one Si(3) atom. In the third Cl site, Cl(6) is bonded in a single-bond geometry to one Si(6) atom. In the fourth Cl site, Cl(8) is bonded in a single-bond geometry to one Si(2) atom. In the fifth Cl site, Cl(10) is bonded in a single-bond geometry to one Si(2) atom. In the sixth Cl site, Cl(12) is bonded in a single-bond geometry to one Si(6) atom. In the seventh Cl site, Cl(14) is bonded in a single-bond geometry to one Si(2) atom. In the eighth Cl site, Cl(16) is bonded in a single-bond geometry to one Si(3) atom. In the ninth Cl site, Cl(18) is bonded in a single-bond geometry to one Si(6) atom. is represented by the CIF card [CIF]
data_Si3NCl9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.839
_cell_length_b   8.879
_cell_length_c   14.618
_cell_angle_alpha   93.079
_cell_angle_beta   99.770
_cell_angle_gamma   112.178
_symmetry_Int_Tables_number   1
_cell_volume   803.262
_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  0.954  0.116  0.829  1.0
  Si  Si1  1  0.171  0.937  0.249  1.0
  Si  Si2  1  0.795  0.628  0.147  1.0
  Si  Si3  1  0.222  0.460  0.790  1.0
  Si  Si4  1  0.861  0.221  0.637  1.0
  Si  Si5  1  0.996  0.639  0.351  1.0
  N  N6  1  0.010  0.266  0.753  1.0
  N  N7  1  0.990  0.734  0.249  1.0
  Cl  Cl8  1  0.513  0.442  0.829  1.0
  Cl  Cl9  1  0.488  0.564  0.167  1.0
  Cl  Cl10  1  0.160  0.202  0.956  1.0
  Cl  Cl11  1  0.822  0.775  0.043  1.0
  Cl  Cl12  1  0.708  0.376  0.607  1.0
  Cl  Cl13  1  0.279  0.612  0.393  1.0
  Cl  Cl14  1  0.621  0.991  0.616  1.0
  Cl  Cl15  1  0.381  0.022  0.375  1.0
  Cl  Cl16  1  0.653  0.049  0.857  1.0
  Cl  Cl17  1  0.359  0.956  0.152  1.0
  Cl  Cl18  1  0.254  0.601  0.683  1.0
  Cl  Cl19  1  0.762  0.408  0.329  1.0
  Cl  Cl20  1  0.999  0.914  0.779  1.0
  Cl  Cl21  1  0.015  0.093  0.231  1.0
  Cl  Cl22  1  0.163  0.585  0.896  1.0
  Cl  Cl23  1  0.839  0.426  0.098  1.0
  Cl  Cl24  1  0.050  0.220  0.543  1.0
  Cl  Cl25  1  0.936  0.764  0.457  1.0
[/CIF]
.