The material described by Mn3Si6N11 crystallizes in the tetragonal P4bm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one N(3), two equivalent N(1), and two equivalent N(2) atoms. In the second Mn site, Mn(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 distorted corner-sharing SiN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Si(2), and two equivalent Si(1) atoms. In the second N site, N(4) is bonded in a bent 150 degrees geometry to two equivalent Si(2) atoms. In the third N site, N(1) is bonded to one Mn(1), one Mn(2), and two equivalent Si(1) atoms to form a mixture of distorted edge and corner-sharing NMn2Si2 trigonal pyramids. In the fourth N site, N(2) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Si(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_Mn3Si6N11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.762
_cell_length_b   9.762
_cell_length_c   4.795
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   456.974
_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
  Mn  Mn0  1  0.294  0.794  0.965  1.0
  Mn  Mn1  1  0.706  0.206  0.965  1.0
  Mn  Mn2  1  0.206  0.294  0.965  1.0
  Mn  Mn3  1  0.794  0.706  0.965  1.0
  Mn  Mn4  1  0.500  0.500  0.912  1.0
  Mn  Mn5  1  0.000  0.000  0.912  1.0
  Si  Si6  1  0.420  0.290  0.532  1.0
  Si  Si7  1  0.580  0.710  0.532  1.0
  Si  Si8  1  0.080  0.790  0.532  1.0
  Si  Si9  1  0.920  0.210  0.532  1.0
  Si  Si10  1  0.290  0.580  0.532  1.0
  Si  Si11  1  0.710  0.420  0.532  1.0
  Si  Si12  1  0.790  0.920  0.532  1.0
  Si  Si13  1  0.210  0.080  0.532  1.0
  Si  Si14  1  0.884  0.384  0.047  1.0
  Si  Si15  1  0.116  0.616  0.047  1.0
  Si  Si16  1  0.616  0.884  0.047  1.0
  Si  Si17  1  0.384  0.116  0.047  1.0
  N  N18  1  0.319  0.420  0.677  1.0
  N  N19  1  0.681  0.580  0.677  1.0
  N  N20  1  0.181  0.920  0.677  1.0
  N  N21  1  0.819  0.080  0.677  1.0
  N  N22  1  0.420  0.681  0.677  1.0
  N  N23  1  0.580  0.319  0.677  1.0
  N  N24  1  0.920  0.819  0.677  1.0
  N  N25  1  0.080  0.181  0.677  1.0
  N  N26  1  0.403  0.286  0.173  1.0
  N  N27  1  0.597  0.714  0.173  1.0
  N  N28  1  0.097  0.786  0.173  1.0
  N  N29  1  0.903  0.214  0.173  1.0
  N  N30  1  0.286  0.597  0.173  1.0
  N  N31  1  0.714  0.403  0.173  1.0
  N  N32  1  0.786  0.903  0.173  1.0
  N  N33  1  0.214  0.097  0.173  1.0
  N  N34  1  0.856  0.356  0.689  1.0
  N  N35  1  0.144  0.644  0.689  1.0
  N  N36  1  0.644  0.856  0.689  1.0
  N  N37  1  0.356  0.144  0.689  1.0
  N  N38  1  0.500  0.000  0.128  1.0
  N  N39  1  0.000  0.500  0.128  1.0
[/CIF]
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The material described by Mn3Si6N11 crystallizes in the tetragonal P4bm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one N(3), two equivalent N(1), and two equivalent N(2) atoms. In the second Mn site, Mn(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 distorted corner-sharing SiN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Si(2), and two equivalent Si(1) atoms. In the second N site, N(4) is bonded in a bent 150 degrees geometry to two equivalent Si(2) atoms. In the third N site, N(1) is bonded to one Mn(1), one Mn(2), and two equivalent Si(1) atoms to form a mixture of distorted edge and corner-sharing NMn2Si2 trigonal pyramids. In the fourth N site, N(2) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Si(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_Mn3Si6N11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.762
_cell_length_b   9.762
_cell_length_c   4.795
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   456.974
_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
  Mn  Mn0  1  0.294  0.794  0.965  1.0
  Mn  Mn1  1  0.706  0.206  0.965  1.0
  Mn  Mn2  1  0.206  0.294  0.965  1.0
  Mn  Mn3  1  0.794  0.706  0.965  1.0
  Mn  Mn4  1  0.500  0.500  0.912  1.0
  Mn  Mn5  1  0.000  0.000  0.912  1.0
  Si  Si6  1  0.420  0.290  0.532  1.0
  Si  Si7  1  0.580  0.710  0.532  1.0
  Si  Si8  1  0.080  0.790  0.532  1.0
  Si  Si9  1  0.920  0.210  0.532  1.0
  Si  Si10  1  0.290  0.580  0.532  1.0
  Si  Si11  1  0.710  0.420  0.532  1.0
  Si  Si12  1  0.790  0.920  0.532  1.0
  Si  Si13  1  0.210  0.080  0.532  1.0
  Si  Si14  1  0.884  0.384  0.047  1.0
  Si  Si15  1  0.116  0.616  0.047  1.0
  Si  Si16  1  0.616  0.884  0.047  1.0
  Si  Si17  1  0.384  0.116  0.047  1.0
  N  N18  1  0.319  0.420  0.677  1.0
  N  N19  1  0.681  0.580  0.677  1.0
  N  N20  1  0.181  0.920  0.677  1.0
  N  N21  1  0.819  0.080  0.677  1.0
  N  N22  1  0.420  0.681  0.677  1.0
  N  N23  1  0.580  0.319  0.677  1.0
  N  N24  1  0.920  0.819  0.677  1.0
  N  N25  1  0.080  0.181  0.677  1.0
  N  N26  1  0.403  0.286  0.173  1.0
  N  N27  1  0.597  0.714  0.173  1.0
  N  N28  1  0.097  0.786  0.173  1.0
  N  N29  1  0.903  0.214  0.173  1.0
  N  N30  1  0.286  0.597  0.173  1.0
  N  N31  1  0.714  0.403  0.173  1.0
  N  N32  1  0.786  0.903  0.173  1.0
  N  N33  1  0.214  0.097  0.173  1.0
  N  N34  1  0.856  0.356  0.689  1.0
  N  N35  1  0.144  0.644  0.689  1.0
  N  N36  1  0.644  0.856  0.689  1.0
  N  N37  1  0.356  0.144  0.689  1.0
  N  N38  1  0.500  0.000  0.128  1.0
  N  N39  1  0.000  0.500  0.128  1.0
[/CIF]
.