The compound described by SrTaO2N crystallizes in the tetragonal I4/mcm space group. Sr(1) is bonded to four equivalent N(1) and eight equivalent O(1) atoms to form distorted SrN4O8 cuboctahedra that share corners with twelve equivalent Sr(1)N4O8 cuboctahedra, faces with six equivalent Sr(1)N4O8 cuboctahedra, and faces with eight equivalent Ta(1)N2O4 octahedra. Ta(1) is bonded to two equivalent N(1) and four equivalent O(1) atoms to form TaN2O4 octahedra that share corners with six equivalent Ta(1)N2O4 octahedra and faces with eight equivalent Sr(1)N4O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-20°. N(1) is bonded to four equivalent Sr(1) and two equivalent Ta(1) atoms to form a mixture of distorted edge and corner-sharing NSr4Ta2 octahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a 4-coordinate geometry to four equivalent Sr(1) and two equivalent Ta(1) atoms. is represented by the CIF card [CIF]
data_SrTaNO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.757
_cell_length_b   5.757
_cell_length_c   5.757
_cell_angle_alpha   120.918
_cell_angle_beta   120.918
_cell_angle_gamma   88.418
_symmetry_Int_Tables_number   1
_cell_volume   132.960
_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
  Sr  Sr0  1  0.750  0.250  0.500  1.0
  Sr  Sr1  1  0.250  0.750  0.500  1.0
  Ta  Ta2  1  0.500  0.500  0.000  1.0
  Ta  Ta3  1  0.000  0.000  0.000  1.0
  N  N4  1  0.750  0.750  0.000  1.0
  N  N5  1  0.250  0.250  0.000  1.0
  O  O6  1  0.795  0.295  0.089  1.0
  O  O7  1  0.295  0.205  0.500  1.0
  O  O8  1  0.205  0.705  0.911  1.0
  O  O9  1  0.705  0.795  0.500  1.0
[/CIF]
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The compound described by SrTaO2N crystallizes in the tetragonal I4/mcm space group. Sr(1) is bonded to four equivalent N(1) and eight equivalent O(1) atoms to form distorted SrN4O8 cuboctahedra that share corners with twelve equivalent Sr(1)N4O8 cuboctahedra, faces with six equivalent Sr(1)N4O8 cuboctahedra, and faces with eight equivalent Ta(1)N2O4 octahedra. Ta(1) is bonded to two equivalent N(1) and four equivalent O(1) atoms to form TaN2O4 octahedra that share corners with six equivalent Ta(1)N2O4 octahedra and faces with eight equivalent Sr(1)N4O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-20°. N(1) is bonded to four equivalent Sr(1) and two equivalent Ta(1) atoms to form a mixture of distorted edge and corner-sharing NSr4Ta2 octahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a 4-coordinate geometry to four equivalent Sr(1) and two equivalent Ta(1) atoms. is represented by the CIF card [CIF]
data_SrTaNO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.757
_cell_length_b   5.757
_cell_length_c   5.757
_cell_angle_alpha   120.918
_cell_angle_beta   120.918
_cell_angle_gamma   88.418
_symmetry_Int_Tables_number   1
_cell_volume   132.960
_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
  Sr  Sr0  1  0.750  0.250  0.500  1.0
  Sr  Sr1  1  0.250  0.750  0.500  1.0
  Ta  Ta2  1  0.500  0.500  0.000  1.0
  Ta  Ta3  1  0.000  0.000  0.000  1.0
  N  N4  1  0.750  0.750  0.000  1.0
  N  N5  1  0.250  0.250  0.000  1.0
  O  O6  1  0.795  0.295  0.089  1.0
  O  O7  1  0.295  0.205  0.500  1.0
  O  O8  1  0.205  0.705  0.911  1.0
  O  O9  1  0.705  0.795  0.500  1.0
[/CIF]
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