The crystal structure described by Ba5Si2N6 crystallizes in the orthorhombic P2_12_12_1 space group. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one N(1), one N(2), one N(3), one N(4), one N(5), and one N(6) atom. In the second Ba site, Ba(2) is bonded in a 4-coordinate geometry to one N(1), one N(4), and two equivalent N(6) atoms. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(3), one N(4), and one N(6) atom. In the fourth Ba site, Ba(4) is bonded in a 6-coordinate geometry to one N(1), one N(5), two equivalent N(2), and two equivalent N(4) atoms. In the fifth Ba site, Ba(5) is bonded in a 7-coordinate geometry to one N(1), one N(2), one N(6), two equivalent N(3), and two equivalent N(5) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(1), one N(3), one N(5), and one N(6) atom to form edge-sharing SiN4 tetrahedra. In the second Si site, Si(2) is bonded to one N(2), one N(3), one N(4), and one N(5) atom to form edge-sharing SiN4 tetrahedra. There are six inequivalent N sites. In the first N site, N(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), one Ba(5), two equivalent Ba(4), and one Si(2) atom. In the second N site, N(3) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(5), one Si(1), and one Si(2) atom. In the third N site, N(4) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), two equivalent Ba(4), and one Si(2) atom. In the fourth N site, N(5) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(4), two equivalent Ba(5), one Si(1), and one Si(2) atom. In the fifth N site, N(6) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), one Ba(5), two equivalent Ba(2), and one Si(1) atom. In the sixth N site, N(1) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ba(4), one Ba(5), and one Si(1) atom. is represented by the CIF file [CIF]
data_Ba5(SiN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.226
_cell_length_b   10.537
_cell_length_c   15.517
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1018.009
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.343  0.537  0.818  1.0
  Ba  Ba1  1  0.843  0.963  0.182  1.0
  Ba  Ba2  1  0.657  0.037  0.682  1.0
  Ba  Ba3  1  0.157  0.463  0.318  1.0
  Ba  Ba4  1  0.408  0.866  0.009  1.0
  Ba  Ba5  1  0.908  0.634  0.991  1.0
  Ba  Ba6  1  0.592  0.366  0.491  1.0
  Ba  Ba7  1  0.092  0.134  0.509  1.0
  Ba  Ba8  1  0.426  0.474  0.100  1.0
  Ba  Ba9  1  0.926  0.026  0.900  1.0
  Ba  Ba10  1  0.574  0.974  0.400  1.0
  Ba  Ba11  1  0.074  0.526  0.600  1.0
  Ba  Ba12  1  0.423  0.207  0.935  1.0
  Ba  Ba13  1  0.923  0.293  0.065  1.0
  Ba  Ba14  1  0.577  0.707  0.565  1.0
  Ba  Ba15  1  0.077  0.793  0.435  1.0
  Ba  Ba16  1  0.669  0.259  0.269  1.0
  Ba  Ba17  1  0.169  0.241  0.731  1.0
  Ba  Ba18  1  0.331  0.759  0.231  1.0
  Ba  Ba19  1  0.831  0.741  0.769  1.0
  Si  Si20  1  0.192  0.135  0.305  1.0
  Si  Si21  1  0.692  0.365  0.695  1.0
  Si  Si22  1  0.808  0.635  0.195  1.0
  Si  Si23  1  0.308  0.865  0.805  1.0
  Si  Si24  1  0.309  0.120  0.147  1.0
  Si  Si25  1  0.809  0.380  0.853  1.0
  Si  Si26  1  0.691  0.620  0.353  1.0
  Si  Si27  1  0.191  0.880  0.647  1.0
  N  N28  1  0.048  0.574  0.151  1.0
  N  N29  1  0.548  0.926  0.849  1.0
  N  N30  1  0.952  0.074  0.349  1.0
  N  N31  1  0.452  0.426  0.651  1.0
  N  N32  1  0.946  0.819  0.607  1.0
  N  N33  1  0.446  0.681  0.393  1.0
  N  N34  1  0.054  0.319  0.893  1.0
  N  N35  1  0.554  0.181  0.107  1.0
  N  N36  1  0.146  0.979  0.743  1.0
  N  N37  1  0.646  0.521  0.257  1.0
  N  N38  1  0.854  0.479  0.757  1.0
  N  N39  1  0.354  0.021  0.243  1.0
  N  N40  1  0.148  0.058  0.064  1.0
  N  N41  1  0.648  0.442  0.936  1.0
  N  N42  1  0.852  0.558  0.436  1.0
  N  N43  1  0.352  0.942  0.564  1.0
  N  N44  1  0.156  0.235  0.212  1.0
  N  N45  1  0.656  0.265  0.788  1.0
  N  N46  1  0.844  0.735  0.288  1.0
  N  N47  1  0.344  0.765  0.712  1.0
  N  N48  1  0.148  0.790  0.885  1.0
  N  N49  1  0.648  0.710  0.115  1.0
  N  N50  1  0.852  0.290  0.615  1.0
  N  N51  1  0.352  0.210  0.385  1.0
[/CIF]
.
The crystal structure described by Ba5Si2N6 crystallizes in the orthorhombic P2_12_12_1 space group. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one N(1), one N(2), one N(3), one N(4), one N(5), and one N(6) atom. In the second Ba site, Ba(2) is bonded in a 4-coordinate geometry to one N(1), one N(4), and two equivalent N(6) atoms. In the third Ba site, Ba(3) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(3), one N(4), and one N(6) atom. In the fourth Ba site, Ba(4) is bonded in a 6-coordinate geometry to one N(1), one N(5), two equivalent N(2), and two equivalent N(4) atoms. In the fifth Ba site, Ba(5) is bonded in a 7-coordinate geometry to one N(1), one N(2), one N(6), two equivalent N(3), and two equivalent N(5) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(1), one N(3), one N(5), and one N(6) atom to form edge-sharing SiN4 tetrahedra. In the second Si site, Si(2) is bonded to one N(2), one N(3), one N(4), and one N(5) atom to form edge-sharing SiN4 tetrahedra. There are six inequivalent N sites. In the first N site, N(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), one Ba(5), two equivalent Ba(4), and one Si(2) atom. In the second N site, N(3) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(5), one Si(1), and one Si(2) atom. In the third N site, N(4) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), two equivalent Ba(4), and one Si(2) atom. In the fourth N site, N(5) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(4), two equivalent Ba(5), one Si(1), and one Si(2) atom. In the fifth N site, N(6) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), one Ba(5), two equivalent Ba(2), and one Si(1) atom. In the sixth N site, N(1) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ba(4), one Ba(5), and one Si(1) atom. is represented by the CIF file [CIF]
data_Ba5(SiN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.226
_cell_length_b   10.537
_cell_length_c   15.517
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1018.009
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.343  0.537  0.818  1.0
  Ba  Ba1  1  0.843  0.963  0.182  1.0
  Ba  Ba2  1  0.657  0.037  0.682  1.0
  Ba  Ba3  1  0.157  0.463  0.318  1.0
  Ba  Ba4  1  0.408  0.866  0.009  1.0
  Ba  Ba5  1  0.908  0.634  0.991  1.0
  Ba  Ba6  1  0.592  0.366  0.491  1.0
  Ba  Ba7  1  0.092  0.134  0.509  1.0
  Ba  Ba8  1  0.426  0.474  0.100  1.0
  Ba  Ba9  1  0.926  0.026  0.900  1.0
  Ba  Ba10  1  0.574  0.974  0.400  1.0
  Ba  Ba11  1  0.074  0.526  0.600  1.0
  Ba  Ba12  1  0.423  0.207  0.935  1.0
  Ba  Ba13  1  0.923  0.293  0.065  1.0
  Ba  Ba14  1  0.577  0.707  0.565  1.0
  Ba  Ba15  1  0.077  0.793  0.435  1.0
  Ba  Ba16  1  0.669  0.259  0.269  1.0
  Ba  Ba17  1  0.169  0.241  0.731  1.0
  Ba  Ba18  1  0.331  0.759  0.231  1.0
  Ba  Ba19  1  0.831  0.741  0.769  1.0
  Si  Si20  1  0.192  0.135  0.305  1.0
  Si  Si21  1  0.692  0.365  0.695  1.0
  Si  Si22  1  0.808  0.635  0.195  1.0
  Si  Si23  1  0.308  0.865  0.805  1.0
  Si  Si24  1  0.309  0.120  0.147  1.0
  Si  Si25  1  0.809  0.380  0.853  1.0
  Si  Si26  1  0.691  0.620  0.353  1.0
  Si  Si27  1  0.191  0.880  0.647  1.0
  N  N28  1  0.048  0.574  0.151  1.0
  N  N29  1  0.548  0.926  0.849  1.0
  N  N30  1  0.952  0.074  0.349  1.0
  N  N31  1  0.452  0.426  0.651  1.0
  N  N32  1  0.946  0.819  0.607  1.0
  N  N33  1  0.446  0.681  0.393  1.0
  N  N34  1  0.054  0.319  0.893  1.0
  N  N35  1  0.554  0.181  0.107  1.0
  N  N36  1  0.146  0.979  0.743  1.0
  N  N37  1  0.646  0.521  0.257  1.0
  N  N38  1  0.854  0.479  0.757  1.0
  N  N39  1  0.354  0.021  0.243  1.0
  N  N40  1  0.148  0.058  0.064  1.0
  N  N41  1  0.648  0.442  0.936  1.0
  N  N42  1  0.852  0.558  0.436  1.0
  N  N43  1  0.352  0.942  0.564  1.0
  N  N44  1  0.156  0.235  0.212  1.0
  N  N45  1  0.656  0.265  0.788  1.0
  N  N46  1  0.844  0.735  0.288  1.0
  N  N47  1  0.344  0.765  0.712  1.0
  N  N48  1  0.148  0.790  0.885  1.0
  N  N49  1  0.648  0.710  0.115  1.0
  N  N50  1  0.852  0.290  0.615  1.0
  N  N51  1  0.352  0.210  0.385  1.0
[/CIF]
.