The compound described by TaON crystallizes in the monoclinic C2/m space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one N(1), two equivalent N(2), one O(1), and two equivalent O(2) atoms to form distorted TaN3O3 octahedra that share corners with two equivalent Ta(1)N3O3 octahedra, corners with two equivalent Ta(2)N4O2 octahedra,  an edgeedge with one Ta(1)N3O3 octahedra, and edges with three equivalent Ta(2)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 4-25°. In the second Ta site, Ta(2) is bonded to one N(2), three equivalent N(1), one O(1), and one O(2) atom to form distorted TaN4O2 octahedra that share corners with two equivalent Ta(1)N3O3 octahedra, corners with two equivalent Ta(2)N4O2 octahedra, edges with two equivalent Ta(2)N4O2 octahedra, and edges with three equivalent Ta(1)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 4-38°. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ta(1) and three equivalent Ta(2) atoms to form a mixture of edge and corner-sharing NTa4 trigonal pyramids. In the second N site, N(2) is bonded in a distorted T-shaped geometry to one Ta(2) and two equivalent Ta(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Ta(1) and one Ta(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ta(2) and two equivalent Ta(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaNO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.824
_cell_length_b   6.824
_cell_length_c   6.731
_cell_angle_alpha   73.077
_cell_angle_beta   73.077
_cell_angle_gamma   32.880
_symmetry_Int_Tables_number   1
_cell_volume   162.114
_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
  Ta  Ta0  1  0.398  0.398  0.207  1.0
  Ta  Ta1  1  0.602  0.602  0.793  1.0
  Ta  Ta2  1  0.689  0.689  0.195  1.0
  Ta  Ta3  1  0.311  0.311  0.805  1.0
  N  N4  1  0.242  0.242  0.148  1.0
  N  N5  1  0.758  0.758  0.852  1.0
  N  N6  1  0.554  0.554  0.137  1.0
  N  N7  1  0.446  0.446  0.863  1.0
  O  O8  1  0.359  0.359  0.506  1.0
  O  O9  1  0.641  0.641  0.494  1.0
  O  O10  1  0.135  0.135  0.790  1.0
  O  O11  1  0.865  0.865  0.210  1.0
[/CIF]
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The compound described by TaON crystallizes in the monoclinic C2/m space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one N(1), two equivalent N(2), one O(1), and two equivalent O(2) atoms to form distorted TaN3O3 octahedra that share corners with two equivalent Ta(1)N3O3 octahedra, corners with two equivalent Ta(2)N4O2 octahedra,  an edgeedge with one Ta(1)N3O3 octahedra, and edges with three equivalent Ta(2)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 4-25°. In the second Ta site, Ta(2) is bonded to one N(2), three equivalent N(1), one O(1), and one O(2) atom to form distorted TaN4O2 octahedra that share corners with two equivalent Ta(1)N3O3 octahedra, corners with two equivalent Ta(2)N4O2 octahedra, edges with two equivalent Ta(2)N4O2 octahedra, and edges with three equivalent Ta(1)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 4-38°. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ta(1) and three equivalent Ta(2) atoms to form a mixture of edge and corner-sharing NTa4 trigonal pyramids. In the second N site, N(2) is bonded in a distorted T-shaped geometry to one Ta(2) and two equivalent Ta(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Ta(1) and one Ta(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ta(2) and two equivalent Ta(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaNO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.824
_cell_length_b   6.824
_cell_length_c   6.731
_cell_angle_alpha   73.077
_cell_angle_beta   73.077
_cell_angle_gamma   32.880
_symmetry_Int_Tables_number   1
_cell_volume   162.114
_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
  Ta  Ta0  1  0.398  0.398  0.207  1.0
  Ta  Ta1  1  0.602  0.602  0.793  1.0
  Ta  Ta2  1  0.689  0.689  0.195  1.0
  Ta  Ta3  1  0.311  0.311  0.805  1.0
  N  N4  1  0.242  0.242  0.148  1.0
  N  N5  1  0.758  0.758  0.852  1.0
  N  N6  1  0.554  0.554  0.137  1.0
  N  N7  1  0.446  0.446  0.863  1.0
  O  O8  1  0.359  0.359  0.506  1.0
  O  O9  1  0.641  0.641  0.494  1.0
  O  O10  1  0.135  0.135  0.790  1.0
  O  O11  1  0.865  0.865  0.210  1.0
[/CIF]
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