The compound described by Sr2YNbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. Y(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form YO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-28°. Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NbO6 octahedra that share corners with six equivalent Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-28°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Y(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Y(1), and one Nb(1) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), one Y(1), and one Nb(1) atom to form distorted corner-sharing OSr2YNb tetrahedra. is represented by the CIF card [CIF]
data_Sr2YNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.963
_cell_length_b   5.858
_cell_length_c   10.172
_cell_angle_alpha   55.039
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   291.240
_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  0.460  0.259  0.751  1.0
  Sr  Sr1  1  0.960  0.741  0.749  1.0
  Sr  Sr2  1  0.040  0.259  0.251  1.0
  Sr  Sr3  1  0.540  0.741  0.249  1.0
  Y  Y4  1  0.500  0.000  0.500  1.0
  Y  Y5  1  0.000  0.000  0.000  1.0
  Nb  Nb6  1  0.000  0.500  0.500  1.0
  Nb  Nb7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.196  0.734  0.543  1.0
  O  O9  1  0.696  0.266  0.957  1.0
  O  O10  1  0.804  0.266  0.457  1.0
  O  O11  1  0.304  0.734  0.043  1.0
  O  O12  1  0.724  0.646  0.547  1.0
  O  O13  1  0.224  0.354  0.953  1.0
  O  O14  1  0.276  0.354  0.453  1.0
  O  O15  1  0.776  0.646  0.047  1.0
  O  O16  1  0.027  0.180  0.735  1.0
  O  O17  1  0.527  0.820  0.765  1.0
  O  O18  1  0.973  0.820  0.265  1.0
  O  O19  1  0.473  0.180  0.235  1.0
[/CIF]
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The compound described by Sr2YNbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. Y(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form YO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-28°. Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NbO6 octahedra that share corners with six equivalent Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-28°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Y(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Y(1), and one Nb(1) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), one Y(1), and one Nb(1) atom to form distorted corner-sharing OSr2YNb tetrahedra. is represented by the CIF card [CIF]
data_Sr2YNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.963
_cell_length_b   5.858
_cell_length_c   10.172
_cell_angle_alpha   55.039
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   291.240
_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  0.460  0.259  0.751  1.0
  Sr  Sr1  1  0.960  0.741  0.749  1.0
  Sr  Sr2  1  0.040  0.259  0.251  1.0
  Sr  Sr3  1  0.540  0.741  0.249  1.0
  Y  Y4  1  0.500  0.000  0.500  1.0
  Y  Y5  1  0.000  0.000  0.000  1.0
  Nb  Nb6  1  0.000  0.500  0.500  1.0
  Nb  Nb7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.196  0.734  0.543  1.0
  O  O9  1  0.696  0.266  0.957  1.0
  O  O10  1  0.804  0.266  0.457  1.0
  O  O11  1  0.304  0.734  0.043  1.0
  O  O12  1  0.724  0.646  0.547  1.0
  O  O13  1  0.224  0.354  0.953  1.0
  O  O14  1  0.276  0.354  0.453  1.0
  O  O15  1  0.776  0.646  0.047  1.0
  O  O16  1  0.027  0.180  0.735  1.0
  O  O17  1  0.527  0.820  0.765  1.0
  O  O18  1  0.973  0.820  0.265  1.0
  O  O19  1  0.473  0.180  0.235  1.0
[/CIF]
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