The compound described by BaAlSi5O2N7 crystallizes in the monoclinic Pc space group. Ba(1) is bonded in a 10-coordinate geometry to one N(2), one N(4), one N(5), two equivalent N(6), two equivalent N(7), one O(1), and two equivalent O(2) atoms. Al(1) is bonded in a 5-coordinate geometry to one N(3), one N(5), one N(6), one N(7), and one O(1) atom. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one N(6), and one O(1) atom. In the second Si site, Si(2) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one N(6), and one O(2) atom. In the third Si site, Si(3) is bonded in a distorted trigonal non-coplanar geometry to one N(2), one N(4), and one O(2) atom. In the fourth Si site, Si(4) is bonded in a tetrahedral geometry to one N(2), one N(4), one N(5), and one N(7) atom. In the fifth Si site, Si(5) is bonded in a distorted see-saw-like geometry to one N(3), one N(4), one N(5), and one O(1) atom. There are seven inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Si(1), one Si(2), and one N(2) atom. In the second N site, N(2) is bonded in a 2-coordinate geometry to one Ba(1), one Si(3), one Si(4), and one N(1) atom. In the third N site, N(3) is bonded in a 3-coordinate geometry to one Al(1), one Si(5), and one N(7) atom. In the fourth N site, N(4) is bonded in a 4-coordinate geometry to one Ba(1), one Si(3), one Si(4), and one Si(5) atom. In the fifth N site, N(5) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Al(1), one Si(4), and one Si(5) atom. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Al(1), one Si(1), and one Si(2) atom. In the seventh N site, N(7) is bonded in a 1-coordinate geometry to two equivalent Ba(1), one Al(1), one Si(4), and one N(3) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Al(1), one Si(1), and one Si(5) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to two equivalent Ba(1), one Si(2), and one Si(3) atom. is represented by the CIF card [CIF]
data_BaAlSi5N7O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.792
_cell_length_b   6.448
_cell_length_c   9.494
_cell_angle_alpha   75.372
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   402.254
_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
  Ba  Ba0  1  0.168  0.197  0.077  1.0
  Ba  Ba1  1  0.832  0.197  0.577  1.0
  Al  Al2  1  0.463  0.383  0.758  1.0
  Al  Al3  1  0.537  0.383  0.258  1.0
  Si  Si4  1  0.334  0.861  0.810  1.0
  Si  Si5  1  0.666  0.861  0.310  1.0
  Si  Si6  1  0.313  0.922  0.445  1.0
  Si  Si7  1  0.687  0.922  0.945  1.0
  Si  Si8  1  0.047  0.808  0.944  1.0
  Si  Si9  1  0.007  0.534  0.242  1.0
  Si  Si10  1  0.953  0.808  0.444  1.0
  Si  Si11  1  0.993  0.534  0.742  1.0
  Si  Si12  1  0.712  0.571  0.920  1.0
  Si  Si13  1  0.288  0.571  0.420  1.0
  N  N14  1  0.236  0.898  0.631  1.0
  N  N15  1  0.968  0.797  0.126  1.0
  N  N16  1  0.764  0.898  0.131  1.0
  N  N17  1  0.328  0.402  0.591  1.0
  N  N18  1  0.990  0.562  0.920  1.0
  N  N19  1  0.032  0.797  0.626  1.0
  N  N20  1  0.735  0.482  0.752  1.0
  N  N21  1  0.672  0.402  0.091  1.0
  N  N22  1  0.506  0.061  0.344  1.0
  N  N23  1  0.010  0.562  0.420  1.0
  N  N24  1  0.265  0.482  0.252  1.0
  N  N25  1  0.494  0.061  0.844  1.0
  N  N26  1  0.170  0.356  0.711  1.0
  N  N27  1  0.830  0.356  0.211  1.0
  O  O28  1  0.572  0.600  0.363  1.0
  O  O29  1  0.428  0.600  0.863  1.0
  O  O30  1  0.097  0.024  0.368  1.0
  O  O31  1  0.903  0.024  0.868  1.0
[/CIF]
.
The compound described by BaAlSi5O2N7 crystallizes in the monoclinic Pc space group. Ba(1) is bonded in a 10-coordinate geometry to one N(2), one N(4), one N(5), two equivalent N(6), two equivalent N(7), one O(1), and two equivalent O(2) atoms. Al(1) is bonded in a 5-coordinate geometry to one N(3), one N(5), one N(6), one N(7), and one O(1) atom. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one N(6), and one O(1) atom. In the second Si site, Si(2) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one N(6), and one O(2) atom. In the third Si site, Si(3) is bonded in a distorted trigonal non-coplanar geometry to one N(2), one N(4), and one O(2) atom. In the fourth Si site, Si(4) is bonded in a tetrahedral geometry to one N(2), one N(4), one N(5), and one N(7) atom. In the fifth Si site, Si(5) is bonded in a distorted see-saw-like geometry to one N(3), one N(4), one N(5), and one O(1) atom. There are seven inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Si(1), one Si(2), and one N(2) atom. In the second N site, N(2) is bonded in a 2-coordinate geometry to one Ba(1), one Si(3), one Si(4), and one N(1) atom. In the third N site, N(3) is bonded in a 3-coordinate geometry to one Al(1), one Si(5), and one N(7) atom. In the fourth N site, N(4) is bonded in a 4-coordinate geometry to one Ba(1), one Si(3), one Si(4), and one Si(5) atom. In the fifth N site, N(5) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Al(1), one Si(4), and one Si(5) atom. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Al(1), one Si(1), and one Si(2) atom. In the seventh N site, N(7) is bonded in a 1-coordinate geometry to two equivalent Ba(1), one Al(1), one Si(4), and one N(3) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Al(1), one Si(1), and one Si(5) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to two equivalent Ba(1), one Si(2), and one Si(3) atom. is represented by the CIF card [CIF]
data_BaAlSi5N7O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.792
_cell_length_b   6.448
_cell_length_c   9.494
_cell_angle_alpha   75.372
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   402.254
_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
  Ba  Ba0  1  0.168  0.197  0.077  1.0
  Ba  Ba1  1  0.832  0.197  0.577  1.0
  Al  Al2  1  0.463  0.383  0.758  1.0
  Al  Al3  1  0.537  0.383  0.258  1.0
  Si  Si4  1  0.334  0.861  0.810  1.0
  Si  Si5  1  0.666  0.861  0.310  1.0
  Si  Si6  1  0.313  0.922  0.445  1.0
  Si  Si7  1  0.687  0.922  0.945  1.0
  Si  Si8  1  0.047  0.808  0.944  1.0
  Si  Si9  1  0.007  0.534  0.242  1.0
  Si  Si10  1  0.953  0.808  0.444  1.0
  Si  Si11  1  0.993  0.534  0.742  1.0
  Si  Si12  1  0.712  0.571  0.920  1.0
  Si  Si13  1  0.288  0.571  0.420  1.0
  N  N14  1  0.236  0.898  0.631  1.0
  N  N15  1  0.968  0.797  0.126  1.0
  N  N16  1  0.764  0.898  0.131  1.0
  N  N17  1  0.328  0.402  0.591  1.0
  N  N18  1  0.990  0.562  0.920  1.0
  N  N19  1  0.032  0.797  0.626  1.0
  N  N20  1  0.735  0.482  0.752  1.0
  N  N21  1  0.672  0.402  0.091  1.0
  N  N22  1  0.506  0.061  0.344  1.0
  N  N23  1  0.010  0.562  0.420  1.0
  N  N24  1  0.265  0.482  0.252  1.0
  N  N25  1  0.494  0.061  0.844  1.0
  N  N26  1  0.170  0.356  0.711  1.0
  N  N27  1  0.830  0.356  0.211  1.0
  O  O28  1  0.572  0.600  0.363  1.0
  O  O29  1  0.428  0.600  0.863  1.0
  O  O30  1  0.097  0.024  0.368  1.0
  O  O31  1  0.903  0.024  0.868  1.0
[/CIF]
.