The structure described by SrTaO2N is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent N(1), two equivalent N(2), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form SrN4O8 cuboctahedra that share corners with four equivalent Sr(1)N4O8 cuboctahedra, corners with eight equivalent Sr(2)N4O8 cuboctahedra, faces with two equivalent Sr(1)N4O8 cuboctahedra, faces with four equivalent Sr(2)N4O8 cuboctahedra, faces with two equivalent Ta(2)N2O4 octahedra, faces with two equivalent Ta(3)N2O4 octahedra, and faces with four equivalent Ta(1)N2O4 octahedra. In the second Sr site, Sr(2) is bonded to two equivalent N(1), two equivalent N(2), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form SrN4O8 cuboctahedra that share corners with four equivalent Sr(2)N4O8 cuboctahedra, corners with eight equivalent Sr(1)N4O8 cuboctahedra, faces with two equivalent Sr(2)N4O8 cuboctahedra, faces with four equivalent Sr(1)N4O8 cuboctahedra, faces with two equivalent Ta(2)N2O4 octahedra, faces with two equivalent Ta(3)N2O4 octahedra, and faces with four equivalent Ta(1)N2O4 octahedra. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one N(1), one N(2), one O(1), one O(2), and two equivalent O(3) atoms to form TaN2O4 octahedra that share corners with two equivalent Ta(1)N2O4 octahedra, corners with two equivalent Ta(2)N2O4 octahedra, corners with two equivalent Ta(3)N2O4 octahedra, faces with four equivalent Sr(1)N4O8 cuboctahedra, and faces with four equivalent Sr(2)N4O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the second Ta site, Ta(2) is bonded to two equivalent N(2), two equivalent O(1), and two equivalent O(4) atoms to form TaN2O4 octahedra that share corners with two equivalent Ta(3)N2O4 octahedra, corners with four equivalent Ta(1)N2O4 octahedra, faces with four equivalent Sr(1)N4O8 cuboctahedra, and faces with four equivalent Sr(2)N4O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the third Ta site, Ta(3) is bonded to two equivalent N(1), two equivalent O(2), and two equivalent O(4) atoms to form TaN2O4 octahedra that share corners with two equivalent Ta(2)N2O4 octahedra, corners with four equivalent Ta(1)N2O4 octahedra, faces with four equivalent Sr(1)N4O8 cuboctahedra, and faces with four equivalent Sr(2)N4O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Ta(1), and one Ta(3) atom. In the second N site, N(2) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Ta(1), and one Ta(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Ta(1), and one Ta(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Ta(1), and one Ta(3) atom. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Ta(2), and one Ta(3) atom. is represented by the CIF file [CIF]
data_SrTaNO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.052
_cell_length_b   7.052
_cell_length_c   5.807
_cell_angle_alpha   89.962
_cell_angle_beta   89.962
_cell_angle_gamma   70.063
_symmetry_Int_Tables_number   1
_cell_volume   271.494
_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
  Sr  Sr0  1  0.747  0.253  0.000  1.0
  Sr  Sr1  1  0.253  0.747  0.000  1.0
  Sr  Sr2  1  0.000  0.500  0.500  1.0
  Sr  Sr3  1  0.500  0.000  0.500  1.0
  Ta  Ta4  1  0.752  0.752  0.027  1.0
  Ta  Ta5  1  0.248  0.248  0.973  1.0
  Ta  Ta6  1  0.000  0.000  0.500  1.0
  Ta  Ta7  1  0.500  0.500  0.500  1.0
  N  N8  1  0.633  0.633  0.265  1.0
  N  N9  1  0.887  0.887  0.227  1.0
  N  N10  1  0.113  0.113  0.773  1.0
  N  N11  1  0.367  0.367  0.735  1.0
  O  O12  1  0.137  0.137  0.281  1.0
  O  O13  1  0.384  0.384  0.238  1.0
  O  O14  1  0.500  0.000  0.000  1.0
  O  O15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.616  0.616  0.762  1.0
  O  O17  1  0.863  0.863  0.719  1.0
  O  O18  1  0.250  0.750  0.500  1.0
  O  O19  1  0.750  0.250  0.500  1.0
[/CIF]
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The structure described by SrTaO2N is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent N(1), two equivalent N(2), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form SrN4O8 cuboctahedra that share corners with four equivalent Sr(1)N4O8 cuboctahedra, corners with eight equivalent Sr(2)N4O8 cuboctahedra, faces with two equivalent Sr(1)N4O8 cuboctahedra, faces with four equivalent Sr(2)N4O8 cuboctahedra, faces with two equivalent Ta(2)N2O4 octahedra, faces with two equivalent Ta(3)N2O4 octahedra, and faces with four equivalent Ta(1)N2O4 octahedra. In the second Sr site, Sr(2) is bonded to two equivalent N(1), two equivalent N(2), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form SrN4O8 cuboctahedra that share corners with four equivalent Sr(2)N4O8 cuboctahedra, corners with eight equivalent Sr(1)N4O8 cuboctahedra, faces with two equivalent Sr(2)N4O8 cuboctahedra, faces with four equivalent Sr(1)N4O8 cuboctahedra, faces with two equivalent Ta(2)N2O4 octahedra, faces with two equivalent Ta(3)N2O4 octahedra, and faces with four equivalent Ta(1)N2O4 octahedra. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one N(1), one N(2), one O(1), one O(2), and two equivalent O(3) atoms to form TaN2O4 octahedra that share corners with two equivalent Ta(1)N2O4 octahedra, corners with two equivalent Ta(2)N2O4 octahedra, corners with two equivalent Ta(3)N2O4 octahedra, faces with four equivalent Sr(1)N4O8 cuboctahedra, and faces with four equivalent Sr(2)N4O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the second Ta site, Ta(2) is bonded to two equivalent N(2), two equivalent O(1), and two equivalent O(4) atoms to form TaN2O4 octahedra that share corners with two equivalent Ta(3)N2O4 octahedra, corners with four equivalent Ta(1)N2O4 octahedra, faces with four equivalent Sr(1)N4O8 cuboctahedra, and faces with four equivalent Sr(2)N4O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the third Ta site, Ta(3) is bonded to two equivalent N(1), two equivalent O(2), and two equivalent O(4) atoms to form TaN2O4 octahedra that share corners with two equivalent Ta(2)N2O4 octahedra, corners with four equivalent Ta(1)N2O4 octahedra, faces with four equivalent Sr(1)N4O8 cuboctahedra, and faces with four equivalent Sr(2)N4O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Ta(1), and one Ta(3) atom. In the second N site, N(2) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Ta(1), and one Ta(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Ta(1), and one Ta(2) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Ta(1), and one Ta(3) atom. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Ta(2), and one Ta(3) atom. is represented by the CIF file [CIF]
data_SrTaNO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.052
_cell_length_b   7.052
_cell_length_c   5.807
_cell_angle_alpha   89.962
_cell_angle_beta   89.962
_cell_angle_gamma   70.063
_symmetry_Int_Tables_number   1
_cell_volume   271.494
_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
  Sr  Sr0  1  0.747  0.253  0.000  1.0
  Sr  Sr1  1  0.253  0.747  0.000  1.0
  Sr  Sr2  1  0.000  0.500  0.500  1.0
  Sr  Sr3  1  0.500  0.000  0.500  1.0
  Ta  Ta4  1  0.752  0.752  0.027  1.0
  Ta  Ta5  1  0.248  0.248  0.973  1.0
  Ta  Ta6  1  0.000  0.000  0.500  1.0
  Ta  Ta7  1  0.500  0.500  0.500  1.0
  N  N8  1  0.633  0.633  0.265  1.0
  N  N9  1  0.887  0.887  0.227  1.0
  N  N10  1  0.113  0.113  0.773  1.0
  N  N11  1  0.367  0.367  0.735  1.0
  O  O12  1  0.137  0.137  0.281  1.0
  O  O13  1  0.384  0.384  0.238  1.0
  O  O14  1  0.500  0.000  0.000  1.0
  O  O15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.616  0.616  0.762  1.0
  O  O17  1  0.863  0.863  0.719  1.0
  O  O18  1  0.250  0.750  0.500  1.0
  O  O19  1  0.750  0.250  0.500  1.0
[/CIF]
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