The material structure described by SrTaO2N is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Pmm2 space group. Sr(1) is bonded to four equivalent N(1), four equivalent O(1), and four equivalent O(2) atoms to form 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), two equivalent O(1), and two equivalent O(2) 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 0-7°. 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 octahedral tilt angles range from 3-7°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_SrTaNO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.055
_cell_length_b   4.076
_cell_length_c   4.098
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   67.732
_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
  Sr  Sr0  1  0.000  0.996  0.000  1.0
  Ta  Ta1  1  0.500  0.489  0.500  1.0
  N  N2  1  0.500  0.519  0.000  1.0
  O  O3  1  0.000  0.495  0.500  1.0
  O  O4  1  0.500  0.002  0.500  1.0
[/CIF]
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The material structure described by SrTaO2N is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Pmm2 space group. Sr(1) is bonded to four equivalent N(1), four equivalent O(1), and four equivalent O(2) atoms to form 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), two equivalent O(1), and two equivalent O(2) 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 0-7°. 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 octahedral tilt angles range from 3-7°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_SrTaNO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.055
_cell_length_b   4.076
_cell_length_c   4.098
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   67.732
_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
  Sr  Sr0  1  0.000  0.996  0.000  1.0
  Ta  Ta1  1  0.500  0.489  0.500  1.0
  N  N2  1  0.500  0.519  0.000  1.0
  O  O3  1  0.000  0.495  0.500  1.0
  O  O4  1  0.500  0.002  0.500  1.0
[/CIF]
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