The compound described by SrTaO2N crystallizes in the orthorhombic Ama2 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(3), and four equivalent O(2) atoms to form distorted SrN4O8 cuboctahedra that share corners with four equivalent Sr(1)N4O8 cuboctahedra, faces with two equivalent Sr(1)N4O8 cuboctahedra, and faces with eight equivalent Ta(1)N2O4 octahedra. In the second Sr site, Sr(2) is bonded in a 12-coordinate geometry to two equivalent N(1), two equivalent N(2), two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Ta(1) is bonded to one N(1), one N(2), one O(1), one O(3), and two equivalent O(2) atoms to form TaN2O4 octahedra that share corners with six equivalent Ta(1)N2O4 octahedra and faces with four equivalent Sr(1)N4O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-21°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ta(1) atoms. In the second N site, N(2) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ta(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ta(1) atoms. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ta(1) atoms to form distorted edge-sharing OSr4Ta2 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrTaNO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.110
_cell_length_b   5.747
_cell_length_c   5.747
_cell_angle_alpha   88.804
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   267.837
_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  0.000  0.001  0.991  1.0
  Sr  Sr1  1  0.000  0.508  0.485  1.0
  Sr  Sr2  1  0.500  0.515  0.492  1.0
  Sr  Sr3  1  0.500  0.009  0.999  1.0
  Ta  Ta4  1  0.242  0.496  0.987  1.0
  Ta  Ta5  1  0.758  0.496  0.987  1.0
  Ta  Ta6  1  0.258  0.012  0.503  1.0
  Ta  Ta7  1  0.742  0.012  0.503  1.0
  N  N8  1  0.500  0.027  0.463  1.0
  N  N9  1  0.250  0.258  0.742  1.0
  N  N10  1  0.750  0.258  0.742  1.0
  N  N11  1  0.000  0.538  0.974  1.0
  O  O12  1  0.500  0.465  0.049  1.0
  O  O13  1  0.787  0.235  0.240  1.0
  O  O14  1  0.213  0.235  0.240  1.0
  O  O15  1  0.250  0.732  0.268  1.0
  O  O16  1  0.750  0.732  0.268  1.0
  O  O17  1  0.000  0.950  0.534  1.0
  O  O18  1  0.287  0.760  0.765  1.0
  O  O19  1  0.713  0.760  0.765  1.0
[/CIF]
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The compound described by SrTaO2N crystallizes in the orthorhombic Ama2 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(3), and four equivalent O(2) atoms to form distorted SrN4O8 cuboctahedra that share corners with four equivalent Sr(1)N4O8 cuboctahedra, faces with two equivalent Sr(1)N4O8 cuboctahedra, and faces with eight equivalent Ta(1)N2O4 octahedra. In the second Sr site, Sr(2) is bonded in a 12-coordinate geometry to two equivalent N(1), two equivalent N(2), two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Ta(1) is bonded to one N(1), one N(2), one O(1), one O(3), and two equivalent O(2) atoms to form TaN2O4 octahedra that share corners with six equivalent Ta(1)N2O4 octahedra and faces with four equivalent Sr(1)N4O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-21°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ta(1) atoms. In the second N site, N(2) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ta(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ta(1) atoms. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Ta(1) atoms to form distorted edge-sharing OSr4Ta2 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrTaNO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.110
_cell_length_b   5.747
_cell_length_c   5.747
_cell_angle_alpha   88.804
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   267.837
_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  0.000  0.001  0.991  1.0
  Sr  Sr1  1  0.000  0.508  0.485  1.0
  Sr  Sr2  1  0.500  0.515  0.492  1.0
  Sr  Sr3  1  0.500  0.009  0.999  1.0
  Ta  Ta4  1  0.242  0.496  0.987  1.0
  Ta  Ta5  1  0.758  0.496  0.987  1.0
  Ta  Ta6  1  0.258  0.012  0.503  1.0
  Ta  Ta7  1  0.742  0.012  0.503  1.0
  N  N8  1  0.500  0.027  0.463  1.0
  N  N9  1  0.250  0.258  0.742  1.0
  N  N10  1  0.750  0.258  0.742  1.0
  N  N11  1  0.000  0.538  0.974  1.0
  O  O12  1  0.500  0.465  0.049  1.0
  O  O13  1  0.787  0.235  0.240  1.0
  O  O14  1  0.213  0.235  0.240  1.0
  O  O15  1  0.250  0.732  0.268  1.0
  O  O16  1  0.750  0.732  0.268  1.0
  O  O17  1  0.000  0.950  0.534  1.0
  O  O18  1  0.287  0.760  0.765  1.0
  O  O19  1  0.713  0.760  0.765  1.0
[/CIF]
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