The compound described by YSnO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/c space group. Y(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the second Sn site, Sn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Y(1), one Sn(1), and one Sn(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Y(1), one Sn(1), and one Sn(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Y(1), one Sn(1), and one Sn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.933
_cell_length_b   5.662
_cell_length_c   10.266
_cell_angle_alpha   56.897
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   288.862
_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
  Y  Y0  1  0.561  0.726  0.750  1.0
  Y  Y1  1  0.939  0.726  0.250  1.0
  Y  Y2  1  0.061  0.274  0.750  1.0
  Y  Y3  1  0.439  0.274  0.250  1.0
  Sn  Sn4  1  0.000  0.000  0.500  1.0
  Sn  Sn5  1  0.500  0.500  0.500  1.0
  Sn  Sn6  1  0.500  0.000  0.000  1.0
  Sn  Sn7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.205  0.431  0.411  1.0
  O  O9  1  0.325  0.710  0.581  1.0
  O  O10  1  0.705  0.569  0.089  1.0
  O  O11  1  0.825  0.290  0.919  1.0
  O  O12  1  0.795  0.569  0.589  1.0
  O  O13  1  0.675  0.290  0.419  1.0
  O  O14  1  0.295  0.431  0.911  1.0
  O  O15  1  0.175  0.710  0.081  1.0
  O  O16  1  0.085  0.119  0.220  1.0
  O  O17  1  0.415  0.119  0.720  1.0
  O  O18  1  0.585  0.881  0.280  1.0
  O  O19  1  0.915  0.881  0.780  1.0
[/CIF]
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The compound described by YSnO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/c space group. Y(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the second Sn site, Sn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Y(1), one Sn(1), and one Sn(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Y(1), one Sn(1), and one Sn(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Y(1), one Sn(1), and one Sn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.933
_cell_length_b   5.662
_cell_length_c   10.266
_cell_angle_alpha   56.897
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   288.862
_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
  Y  Y0  1  0.561  0.726  0.750  1.0
  Y  Y1  1  0.939  0.726  0.250  1.0
  Y  Y2  1  0.061  0.274  0.750  1.0
  Y  Y3  1  0.439  0.274  0.250  1.0
  Sn  Sn4  1  0.000  0.000  0.500  1.0
  Sn  Sn5  1  0.500  0.500  0.500  1.0
  Sn  Sn6  1  0.500  0.000  0.000  1.0
  Sn  Sn7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.205  0.431  0.411  1.0
  O  O9  1  0.325  0.710  0.581  1.0
  O  O10  1  0.705  0.569  0.089  1.0
  O  O11  1  0.825  0.290  0.919  1.0
  O  O12  1  0.795  0.569  0.589  1.0
  O  O13  1  0.675  0.290  0.419  1.0
  O  O14  1  0.295  0.431  0.911  1.0
  O  O15  1  0.175  0.710  0.081  1.0
  O  O16  1  0.085  0.119  0.220  1.0
  O  O17  1  0.415  0.119  0.720  1.0
  O  O18  1  0.585  0.881  0.280  1.0
  O  O19  1  0.915  0.881  0.780  1.0
[/CIF]
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