The compound described by Si6Bi3N11 crystallizes in the tetragonal P4bm space group. 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 two inequivalent Bi sites. In the first Bi site, Bi(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 Bi site, Bi(2) is bonded in a 8-coordinate geometry to four equivalent N(1) and four equivalent N(2) atoms. There are four inequivalent N sites. In the first N site, N(3) is bonded in a trigonal planar geometry to one Si(2), two equivalent Si(1), and one Bi(1) atom. In the second N site, N(4) is bonded in a distorted linear geometry to two equivalent Si(2) and two equivalent Bi(1) atoms. In the third N site, N(1) is bonded to two equivalent Si(1), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing NSi2Bi2 trigonal pyramids. In the fourth N site, N(2) is bonded in a distorted bent 120 degrees geometry to one Si(1), one Si(2), one Bi(1), and one Bi(2) atom. is represented by the CIF card [CIF]
data_Si6Bi3N11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.182
_cell_length_b   10.182
_cell_length_c   4.945
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   512.675
_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  0.420  0.290  0.533  1.0
  Si  Si1  1  0.580  0.710  0.533  1.0
  Si  Si2  1  0.080  0.790  0.533  1.0
  Si  Si3  1  0.920  0.210  0.533  1.0
  Si  Si4  1  0.290  0.580  0.533  1.0
  Si  Si5  1  0.710  0.420  0.533  1.0
  Si  Si6  1  0.790  0.920  0.533  1.0
  Si  Si7  1  0.210  0.080  0.533  1.0
  Si  Si8  1  0.882  0.382  0.047  1.0
  Si  Si9  1  0.118  0.618  0.047  1.0
  Si  Si10  1  0.618  0.882  0.047  1.0
  Si  Si11  1  0.382  0.118  0.047  1.0
  Bi  Bi12  1  0.317  0.817  0.974  1.0
  Bi  Bi13  1  0.683  0.183  0.974  1.0
  Bi  Bi14  1  0.183  0.317  0.974  1.0
  Bi  Bi15  1  0.817  0.683  0.974  1.0
  Bi  Bi16  1  0.500  0.500  0.980  1.0
  Bi  Bi17  1  0.000  0.000  0.980  1.0
  N  N18  1  0.322  0.422  0.652  1.0
  N  N19  1  0.678  0.578  0.652  1.0
  N  N20  1  0.178  0.922  0.652  1.0
  N  N21  1  0.822  0.078  0.652  1.0
  N  N22  1  0.422  0.678  0.652  1.0
  N  N23  1  0.578  0.322  0.652  1.0
  N  N24  1  0.922  0.822  0.652  1.0
  N  N25  1  0.078  0.178  0.652  1.0
  N  N26  1  0.425  0.268  0.188  1.0
  N  N27  1  0.575  0.732  0.188  1.0
  N  N28  1  0.075  0.768  0.188  1.0
  N  N29  1  0.925  0.232  0.188  1.0
  N  N30  1  0.268  0.575  0.188  1.0
  N  N31  1  0.732  0.425  0.188  1.0
  N  N32  1  0.768  0.925  0.188  1.0
  N  N33  1  0.232  0.075  0.188  1.0
  N  N34  1  0.843  0.343  0.704  1.0
  N  N35  1  0.157  0.657  0.704  1.0
  N  N36  1  0.657  0.843  0.704  1.0
  N  N37  1  0.343  0.157  0.704  1.0
  N  N38  1  0.500  0.000  0.046  1.0
  N  N39  1  0.000  0.500  0.046  1.0
[/CIF]
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The compound described by Si6Bi3N11 crystallizes in the tetragonal P4bm space group. 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 two inequivalent Bi sites. In the first Bi site, Bi(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 Bi site, Bi(2) is bonded in a 8-coordinate geometry to four equivalent N(1) and four equivalent N(2) atoms. There are four inequivalent N sites. In the first N site, N(3) is bonded in a trigonal planar geometry to one Si(2), two equivalent Si(1), and one Bi(1) atom. In the second N site, N(4) is bonded in a distorted linear geometry to two equivalent Si(2) and two equivalent Bi(1) atoms. In the third N site, N(1) is bonded to two equivalent Si(1), one Bi(1), and one Bi(2) atom to form a mixture of distorted corner and edge-sharing NSi2Bi2 trigonal pyramids. In the fourth N site, N(2) is bonded in a distorted bent 120 degrees geometry to one Si(1), one Si(2), one Bi(1), and one Bi(2) atom. is represented by the CIF card [CIF]
data_Si6Bi3N11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.182
_cell_length_b   10.182
_cell_length_c   4.945
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   512.675
_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  0.420  0.290  0.533  1.0
  Si  Si1  1  0.580  0.710  0.533  1.0
  Si  Si2  1  0.080  0.790  0.533  1.0
  Si  Si3  1  0.920  0.210  0.533  1.0
  Si  Si4  1  0.290  0.580  0.533  1.0
  Si  Si5  1  0.710  0.420  0.533  1.0
  Si  Si6  1  0.790  0.920  0.533  1.0
  Si  Si7  1  0.210  0.080  0.533  1.0
  Si  Si8  1  0.882  0.382  0.047  1.0
  Si  Si9  1  0.118  0.618  0.047  1.0
  Si  Si10  1  0.618  0.882  0.047  1.0
  Si  Si11  1  0.382  0.118  0.047  1.0
  Bi  Bi12  1  0.317  0.817  0.974  1.0
  Bi  Bi13  1  0.683  0.183  0.974  1.0
  Bi  Bi14  1  0.183  0.317  0.974  1.0
  Bi  Bi15  1  0.817  0.683  0.974  1.0
  Bi  Bi16  1  0.500  0.500  0.980  1.0
  Bi  Bi17  1  0.000  0.000  0.980  1.0
  N  N18  1  0.322  0.422  0.652  1.0
  N  N19  1  0.678  0.578  0.652  1.0
  N  N20  1  0.178  0.922  0.652  1.0
  N  N21  1  0.822  0.078  0.652  1.0
  N  N22  1  0.422  0.678  0.652  1.0
  N  N23  1  0.578  0.322  0.652  1.0
  N  N24  1  0.922  0.822  0.652  1.0
  N  N25  1  0.078  0.178  0.652  1.0
  N  N26  1  0.425  0.268  0.188  1.0
  N  N27  1  0.575  0.732  0.188  1.0
  N  N28  1  0.075  0.768  0.188  1.0
  N  N29  1  0.925  0.232  0.188  1.0
  N  N30  1  0.268  0.575  0.188  1.0
  N  N31  1  0.732  0.425  0.188  1.0
  N  N32  1  0.768  0.925  0.188  1.0
  N  N33  1  0.232  0.075  0.188  1.0
  N  N34  1  0.843  0.343  0.704  1.0
  N  N35  1  0.157  0.657  0.704  1.0
  N  N36  1  0.657  0.843  0.704  1.0
  N  N37  1  0.343  0.157  0.704  1.0
  N  N38  1  0.500  0.000  0.046  1.0
  N  N39  1  0.000  0.500  0.046  1.0
[/CIF]
.