The material described by BaSi6N8O crystallizes in the orthorhombic Imm2 space group. Ba(1) is bonded in a 6-coordinate geometry to two equivalent N(3) and four equivalent N(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(1), one N(3), and two equivalent N(2) atoms to form SiN4 tetrahedra that share corners with three equivalent Si(2)N3O tetrahedra and corners with four equivalent Si(1)N4 tetrahedra. In the second Si site, Si(2) is bonded to one N(3), two equivalent N(2), and one O(1) atom to form SiN3O tetrahedra that share  a cornercorner with one Si(2)N3O tetrahedra and corners with six equivalent Si(1)N4 tetrahedra. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1) and two equivalent Si(1) atoms. In the second N site, N(2) is bonded in a trigonal planar geometry to one Si(2) and two equivalent Si(1) atoms. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Ba(1), one Si(2), and two equivalent Si(1) atoms. O(1) is bonded in a bent 150 degrees geometry to two equivalent Si(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSi6N8O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.829
_cell_length_b   6.829
_cell_length_c   6.829
_cell_angle_alpha   138.211
_cell_angle_beta   106.499
_cell_angle_gamma   88.304
_symmetry_Int_Tables_number   1
_cell_volume   195.055
_cell_formula_units_Z   1
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  0.500  0.497  0.997  1.0
  Si  Si1  1  0.355  0.180  0.218  1.0
  Si  Si2  1  0.161  0.686  0.525  1.0
  Si  Si3  1  0.962  0.180  0.825  1.0
  Si  Si4  1  0.839  0.364  0.525  1.0
  Si  Si5  1  0.038  0.862  0.218  1.0
  Si  Si6  1  0.645  0.862  0.825  1.0
  N  N7  1  0.274  0.052  0.326  1.0
  N  N8  1  0.046  0.903  0.506  1.0
  N  N9  1  0.726  0.052  0.778  1.0
  N  N10  1  0.813  0.988  0.175  1.0
  N  N11  1  0.397  0.903  0.857  1.0
  N  N12  1  0.187  0.362  0.175  1.0
  N  N13  1  0.603  0.460  0.506  1.0
  N  N14  1  0.954  0.460  0.857  1.0
  O  O15  1  0.000  0.612  0.612  1.0
[/CIF]
.
The material described by BaSi6N8O crystallizes in the orthorhombic Imm2 space group. Ba(1) is bonded in a 6-coordinate geometry to two equivalent N(3) and four equivalent N(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(1), one N(3), and two equivalent N(2) atoms to form SiN4 tetrahedra that share corners with three equivalent Si(2)N3O tetrahedra and corners with four equivalent Si(1)N4 tetrahedra. In the second Si site, Si(2) is bonded to one N(3), two equivalent N(2), and one O(1) atom to form SiN3O tetrahedra that share  a cornercorner with one Si(2)N3O tetrahedra and corners with six equivalent Si(1)N4 tetrahedra. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1) and two equivalent Si(1) atoms. In the second N site, N(2) is bonded in a trigonal planar geometry to one Si(2) and two equivalent Si(1) atoms. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Ba(1), one Si(2), and two equivalent Si(1) atoms. O(1) is bonded in a bent 150 degrees geometry to two equivalent Si(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaSi6N8O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.829
_cell_length_b   6.829
_cell_length_c   6.829
_cell_angle_alpha   138.211
_cell_angle_beta   106.499
_cell_angle_gamma   88.304
_symmetry_Int_Tables_number   1
_cell_volume   195.055
_cell_formula_units_Z   1
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  0.500  0.497  0.997  1.0
  Si  Si1  1  0.355  0.180  0.218  1.0
  Si  Si2  1  0.161  0.686  0.525  1.0
  Si  Si3  1  0.962  0.180  0.825  1.0
  Si  Si4  1  0.839  0.364  0.525  1.0
  Si  Si5  1  0.038  0.862  0.218  1.0
  Si  Si6  1  0.645  0.862  0.825  1.0
  N  N7  1  0.274  0.052  0.326  1.0
  N  N8  1  0.046  0.903  0.506  1.0
  N  N9  1  0.726  0.052  0.778  1.0
  N  N10  1  0.813  0.988  0.175  1.0
  N  N11  1  0.397  0.903  0.857  1.0
  N  N12  1  0.187  0.362  0.175  1.0
  N  N13  1  0.603  0.460  0.506  1.0
  N  N14  1  0.954  0.460  0.857  1.0
  O  O15  1  0.000  0.612  0.612  1.0
[/CIF]
.