The compound described by Sm3Si6N11 crystallizes in the tetragonal P4bm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to four equivalent N(3) and four equivalent N(4) atoms. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one N(1), one N(2), two equivalent N(4), and four equivalent N(3) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form corner-sharing SiN4 tetrahedra. In the second Si site, Si(2) is bonded to one N(2), one N(3), and two equivalent N(4) atoms to form corner-sharing SiN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(4) is bonded to one Sm(1), one Sm(2), and two equivalent Si(2) atoms to form a mixture of distorted edge and corner-sharing NSm2Si2 trigonal pyramids. In the second N site, N(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sm(2) and two equivalent Si(1) atoms. In the third N site, N(2) is bonded in a trigonal planar geometry to one Sm(2), one Si(1), and two equivalent Si(2) atoms. In the fourth N site, N(3) is bonded in a 2-coordinate geometry to one Sm(1), two equivalent Sm(2), one Si(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_Sm3Si6N11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.010
_cell_length_b   10.010
_cell_length_c   4.855
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   486.430
_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
  Sm  Sm0  1  0.500  0.500  0.983  1.0
  Sm  Sm1  1  0.000  0.000  0.983  1.0
  Sm  Sm2  1  0.818  0.318  0.998  1.0
  Sm  Sm3  1  0.318  0.182  0.998  1.0
  Sm  Sm4  1  0.682  0.818  0.998  1.0
  Sm  Sm5  1  0.182  0.682  0.998  1.0
  Si  Si6  1  0.382  0.882  0.043  1.0
  Si  Si7  1  0.882  0.618  0.043  1.0
  Si  Si8  1  0.118  0.382  0.043  1.0
  Si  Si9  1  0.618  0.118  0.043  1.0
  Si  Si10  1  0.709  0.579  0.532  1.0
  Si  Si11  1  0.291  0.421  0.532  1.0
  Si  Si12  1  0.421  0.709  0.532  1.0
  Si  Si13  1  0.579  0.291  0.532  1.0
  Si  Si14  1  0.921  0.791  0.532  1.0
  Si  Si15  1  0.791  0.079  0.532  1.0
  Si  Si16  1  0.209  0.921  0.532  1.0
  Si  Si17  1  0.079  0.209  0.532  1.0
  N  N18  1  0.500  0.000  0.073  1.0
  N  N19  1  0.000  0.500  0.073  1.0
  N  N20  1  0.347  0.847  0.696  1.0
  N  N21  1  0.847  0.653  0.696  1.0
  N  N22  1  0.153  0.347  0.696  1.0
  N  N23  1  0.653  0.153  0.696  1.0
  N  N24  1  0.727  0.577  0.179  1.0
  N  N25  1  0.273  0.423  0.179  1.0
  N  N26  1  0.423  0.727  0.179  1.0
  N  N27  1  0.577  0.273  0.179  1.0
  N  N28  1  0.923  0.773  0.179  1.0
  N  N29  1  0.773  0.077  0.179  1.0
  N  N30  1  0.227  0.923  0.179  1.0
  N  N31  1  0.077  0.227  0.179  1.0
  N  N32  1  0.580  0.680  0.648  1.0
  N  N33  1  0.420  0.320  0.648  1.0
  N  N34  1  0.320  0.580  0.648  1.0
  N  N35  1  0.680  0.420  0.648  1.0
  N  N36  1  0.180  0.080  0.648  1.0
  N  N37  1  0.080  0.820  0.648  1.0
  N  N38  1  0.920  0.180  0.648  1.0
  N  N39  1  0.820  0.920  0.648  1.0
[/CIF]
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The compound described by Sm3Si6N11 crystallizes in the tetragonal P4bm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to four equivalent N(3) and four equivalent N(4) atoms. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one N(1), one N(2), two equivalent N(4), and four equivalent N(3) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form corner-sharing SiN4 tetrahedra. In the second Si site, Si(2) is bonded to one N(2), one N(3), and two equivalent N(4) atoms to form corner-sharing SiN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(4) is bonded to one Sm(1), one Sm(2), and two equivalent Si(2) atoms to form a mixture of distorted edge and corner-sharing NSm2Si2 trigonal pyramids. In the second N site, N(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sm(2) and two equivalent Si(1) atoms. In the third N site, N(2) is bonded in a trigonal planar geometry to one Sm(2), one Si(1), and two equivalent Si(2) atoms. In the fourth N site, N(3) is bonded in a 2-coordinate geometry to one Sm(1), two equivalent Sm(2), one Si(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_Sm3Si6N11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.010
_cell_length_b   10.010
_cell_length_c   4.855
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   486.430
_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
  Sm  Sm0  1  0.500  0.500  0.983  1.0
  Sm  Sm1  1  0.000  0.000  0.983  1.0
  Sm  Sm2  1  0.818  0.318  0.998  1.0
  Sm  Sm3  1  0.318  0.182  0.998  1.0
  Sm  Sm4  1  0.682  0.818  0.998  1.0
  Sm  Sm5  1  0.182  0.682  0.998  1.0
  Si  Si6  1  0.382  0.882  0.043  1.0
  Si  Si7  1  0.882  0.618  0.043  1.0
  Si  Si8  1  0.118  0.382  0.043  1.0
  Si  Si9  1  0.618  0.118  0.043  1.0
  Si  Si10  1  0.709  0.579  0.532  1.0
  Si  Si11  1  0.291  0.421  0.532  1.0
  Si  Si12  1  0.421  0.709  0.532  1.0
  Si  Si13  1  0.579  0.291  0.532  1.0
  Si  Si14  1  0.921  0.791  0.532  1.0
  Si  Si15  1  0.791  0.079  0.532  1.0
  Si  Si16  1  0.209  0.921  0.532  1.0
  Si  Si17  1  0.079  0.209  0.532  1.0
  N  N18  1  0.500  0.000  0.073  1.0
  N  N19  1  0.000  0.500  0.073  1.0
  N  N20  1  0.347  0.847  0.696  1.0
  N  N21  1  0.847  0.653  0.696  1.0
  N  N22  1  0.153  0.347  0.696  1.0
  N  N23  1  0.653  0.153  0.696  1.0
  N  N24  1  0.727  0.577  0.179  1.0
  N  N25  1  0.273  0.423  0.179  1.0
  N  N26  1  0.423  0.727  0.179  1.0
  N  N27  1  0.577  0.273  0.179  1.0
  N  N28  1  0.923  0.773  0.179  1.0
  N  N29  1  0.773  0.077  0.179  1.0
  N  N30  1  0.227  0.923  0.179  1.0
  N  N31  1  0.077  0.227  0.179  1.0
  N  N32  1  0.580  0.680  0.648  1.0
  N  N33  1  0.420  0.320  0.648  1.0
  N  N34  1  0.320  0.580  0.648  1.0
  N  N35  1  0.680  0.420  0.648  1.0
  N  N36  1  0.180  0.080  0.648  1.0
  N  N37  1  0.080  0.820  0.648  1.0
  N  N38  1  0.920  0.180  0.648  1.0
  N  N39  1  0.820  0.920  0.648  1.0
[/CIF]
.