The material structure described by Ti3Si6N11 crystallizes in the tetragonal P4bm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one N(3), one N(4), two equivalent N(1), and two equivalent N(2) atoms. In the second Ti site, Ti(2) is bonded in a 8-coordinate geometry to four equivalent N(1) and four equivalent N(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form corner-sharing SiN4 tetrahedra. In the second Si site, Si(2) is bonded to one N(3), one N(4), and two equivalent N(2) atoms to form corner-sharing SiN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(3) is bonded to one Ti(1), one Si(2), and two equivalent Si(1) atoms to form a mixture of distorted edge and corner-sharing NTiSi3 trigonal pyramids. In the second N site, N(4) is bonded in a distorted linear geometry to two equivalent Ti(1) and two equivalent Si(2) atoms. In the third N site, N(1) is bonded to one Ti(1), one Ti(2), and two equivalent Si(1) atoms to form distorted NTi2Si2 trigonal pyramids that share  a cornercorner with one N(3)TiSi3 trigonal pyramid, corners with two equivalent N(1)Ti2Si2 trigonal pyramids,  an edgeedge with one N(3)TiSi3 trigonal pyramid, and edges with two equivalent N(1)Ti2Si2 trigonal pyramids. In the fourth N site, N(2) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(2), one Si(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_Ti3Si6N11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.723
_cell_length_b   9.723
_cell_length_c   4.811
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   454.730
_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
  Ti  Ti0  1  0.303  0.803  0.936  1.0
  Ti  Ti1  1  0.697  0.197  0.936  1.0
  Ti  Ti2  1  0.197  0.303  0.936  1.0
  Ti  Ti3  1  0.803  0.697  0.936  1.0
  Ti  Ti4  1  0.500  0.500  0.969  1.0
  Ti  Ti5  1  0.000  0.000  0.969  1.0
  Si  Si6  1  0.417  0.297  0.530  1.0
  Si  Si7  1  0.583  0.703  0.530  1.0
  Si  Si8  1  0.083  0.797  0.530  1.0
  Si  Si9  1  0.917  0.203  0.530  1.0
  Si  Si10  1  0.297  0.583  0.530  1.0
  Si  Si11  1  0.703  0.417  0.530  1.0
  Si  Si12  1  0.797  0.917  0.530  1.0
  Si  Si13  1  0.203  0.083  0.530  1.0
  Si  Si14  1  0.880  0.380  0.049  1.0
  Si  Si15  1  0.120  0.620  0.049  1.0
  Si  Si16  1  0.620  0.880  0.049  1.0
  Si  Si17  1  0.380  0.120  0.049  1.0
  N  N18  1  0.318  0.425  0.680  1.0
  N  N19  1  0.682  0.575  0.680  1.0
  N  N20  1  0.182  0.925  0.680  1.0
  N  N21  1  0.818  0.075  0.680  1.0
  N  N22  1  0.425  0.682  0.680  1.0
  N  N23  1  0.575  0.318  0.680  1.0
  N  N24  1  0.925  0.818  0.680  1.0
  N  N25  1  0.075  0.182  0.680  1.0
  N  N26  1  0.411  0.288  0.174  1.0
  N  N27  1  0.589  0.712  0.174  1.0
  N  N28  1  0.089  0.788  0.174  1.0
  N  N29  1  0.911  0.212  0.174  1.0
  N  N30  1  0.288  0.589  0.174  1.0
  N  N31  1  0.712  0.411  0.174  1.0
  N  N32  1  0.788  0.911  0.174  1.0
  N  N33  1  0.212  0.089  0.174  1.0
  N  N34  1  0.843  0.343  0.699  1.0
  N  N35  1  0.157  0.657  0.699  1.0
  N  N36  1  0.657  0.843  0.699  1.0
  N  N37  1  0.343  0.157  0.699  1.0
  N  N38  1  0.500  0.000  0.095  1.0
  N  N39  1  0.000  0.500  0.095  1.0
[/CIF]
.
The material structure described by Ti3Si6N11 crystallizes in the tetragonal P4bm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one N(3), one N(4), two equivalent N(1), and two equivalent N(2) atoms. In the second Ti site, Ti(2) is bonded in a 8-coordinate geometry to four equivalent N(1) and four equivalent N(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form corner-sharing SiN4 tetrahedra. In the second Si site, Si(2) is bonded to one N(3), one N(4), and two equivalent N(2) atoms to form corner-sharing SiN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(3) is bonded to one Ti(1), one Si(2), and two equivalent Si(1) atoms to form a mixture of distorted edge and corner-sharing NTiSi3 trigonal pyramids. In the second N site, N(4) is bonded in a distorted linear geometry to two equivalent Ti(1) and two equivalent Si(2) atoms. In the third N site, N(1) is bonded to one Ti(1), one Ti(2), and two equivalent Si(1) atoms to form distorted NTi2Si2 trigonal pyramids that share  a cornercorner with one N(3)TiSi3 trigonal pyramid, corners with two equivalent N(1)Ti2Si2 trigonal pyramids,  an edgeedge with one N(3)TiSi3 trigonal pyramid, and edges with two equivalent N(1)Ti2Si2 trigonal pyramids. In the fourth N site, N(2) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(2), one Si(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_Ti3Si6N11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.723
_cell_length_b   9.723
_cell_length_c   4.811
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   454.730
_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
  Ti  Ti0  1  0.303  0.803  0.936  1.0
  Ti  Ti1  1  0.697  0.197  0.936  1.0
  Ti  Ti2  1  0.197  0.303  0.936  1.0
  Ti  Ti3  1  0.803  0.697  0.936  1.0
  Ti  Ti4  1  0.500  0.500  0.969  1.0
  Ti  Ti5  1  0.000  0.000  0.969  1.0
  Si  Si6  1  0.417  0.297  0.530  1.0
  Si  Si7  1  0.583  0.703  0.530  1.0
  Si  Si8  1  0.083  0.797  0.530  1.0
  Si  Si9  1  0.917  0.203  0.530  1.0
  Si  Si10  1  0.297  0.583  0.530  1.0
  Si  Si11  1  0.703  0.417  0.530  1.0
  Si  Si12  1  0.797  0.917  0.530  1.0
  Si  Si13  1  0.203  0.083  0.530  1.0
  Si  Si14  1  0.880  0.380  0.049  1.0
  Si  Si15  1  0.120  0.620  0.049  1.0
  Si  Si16  1  0.620  0.880  0.049  1.0
  Si  Si17  1  0.380  0.120  0.049  1.0
  N  N18  1  0.318  0.425  0.680  1.0
  N  N19  1  0.682  0.575  0.680  1.0
  N  N20  1  0.182  0.925  0.680  1.0
  N  N21  1  0.818  0.075  0.680  1.0
  N  N22  1  0.425  0.682  0.680  1.0
  N  N23  1  0.575  0.318  0.680  1.0
  N  N24  1  0.925  0.818  0.680  1.0
  N  N25  1  0.075  0.182  0.680  1.0
  N  N26  1  0.411  0.288  0.174  1.0
  N  N27  1  0.589  0.712  0.174  1.0
  N  N28  1  0.089  0.788  0.174  1.0
  N  N29  1  0.911  0.212  0.174  1.0
  N  N30  1  0.288  0.589  0.174  1.0
  N  N31  1  0.712  0.411  0.174  1.0
  N  N32  1  0.788  0.911  0.174  1.0
  N  N33  1  0.212  0.089  0.174  1.0
  N  N34  1  0.843  0.343  0.699  1.0
  N  N35  1  0.157  0.657  0.699  1.0
  N  N36  1  0.657  0.843  0.699  1.0
  N  N37  1  0.343  0.157  0.699  1.0
  N  N38  1  0.500  0.000  0.095  1.0
  N  N39  1  0.000  0.500  0.095  1.0
[/CIF]
.