The material described by YSnO3 crystallizes in the hexagonal P6_3cm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(1), three equivalent O(3), and three equivalent O(4) atoms. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(2), three equivalent O(3), and three equivalent O(4) atoms. Sn(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form corner-sharing SnO5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Y(1) and three equivalent Sn(1) atoms to form distorted OYSn3 trigonal pyramids that share corners with six equivalent O(3)Y3Sn tetrahedra, corners with three equivalent O(1)YSn3 trigonal pyramids, corners with three equivalent O(2)YSn3 trigonal pyramids, and edges with three equivalent O(4)Y3Sn tetrahedra. In the second O site, O(2) is bonded to one Y(2) and three equivalent Sn(1) atoms to form OYSn3 trigonal pyramids that share corners with six equivalent O(4)Y3Sn tetrahedra, corners with six equivalent O(1)YSn3 trigonal pyramids, and edges with three equivalent O(3)Y3Sn tetrahedra. In the third O site, O(3) is bonded to one Y(2), two equivalent Y(1), and one Sn(1) atom to form OY3Sn tetrahedra that share corners with four equivalent O(4)Y3Sn tetrahedra, corners with six equivalent O(3)Y3Sn tetrahedra, corners with four equivalent O(1)YSn3 trigonal pyramids, edges with three equivalent O(4)Y3Sn tetrahedra, and  an edgeedge with one O(2)YSn3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Y(2), two equivalent Y(1), and one Sn(1) atom to form OY3Sn tetrahedra that share corners with four equivalent O(3)Y3Sn tetrahedra, corners with six equivalent O(4)Y3Sn tetrahedra, corners with two equivalent O(2)YSn3 trigonal pyramids, edges with three equivalent O(3)Y3Sn tetrahedra, and edges with two equivalent O(1)YSn3 trigonal pyramids. is represented by the CIF file [CIF]
data_YSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.427
_cell_length_b   6.427
_cell_length_c   12.576
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   449.902
_cell_formula_units_Z   6
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  0.667  0.333  0.237  1.0
  Y  Y1  1  0.333  0.667  0.737  1.0
  Y  Y2  1  0.667  0.333  0.737  1.0
  Y  Y3  1  0.333  0.667  0.237  1.0
  Y  Y4  1  0.000  0.000  0.769  1.0
  Y  Y5  1  0.000  0.000  0.269  1.0
  Sn  Sn6  1  0.667  0.000  0.500  1.0
  Sn  Sn7  1  0.667  0.667  0.000  1.0
  Sn  Sn8  1  0.000  0.333  0.000  1.0
  Sn  Sn9  1  0.000  0.667  0.500  1.0
  Sn  Sn10  1  0.333  0.333  0.500  1.0
  Sn  Sn11  1  0.333  0.000  0.000  1.0
  O  O12  1  0.667  0.333  0.026  1.0
  O  O13  1  0.333  0.667  0.526  1.0
  O  O14  1  0.667  0.333  0.526  1.0
  O  O15  1  0.333  0.667  0.026  1.0
  O  O16  1  0.000  0.000  0.971  1.0
  O  O17  1  0.000  0.000  0.471  1.0
  O  O18  1  0.360  0.000  0.829  1.0
  O  O19  1  0.360  0.360  0.329  1.0
  O  O20  1  0.000  0.640  0.329  1.0
  O  O21  1  0.000  0.360  0.829  1.0
  O  O22  1  0.640  0.640  0.829  1.0
  O  O23  1  0.640  0.000  0.329  1.0
  O  O24  1  0.309  0.000  0.174  1.0
  O  O25  1  0.309  0.309  0.674  1.0
  O  O26  1  0.000  0.691  0.674  1.0
  O  O27  1  0.000  0.309  0.174  1.0
  O  O28  1  0.691  0.691  0.174  1.0
  O  O29  1  0.691  0.000  0.674  1.0
[/CIF]
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The material described by YSnO3 crystallizes in the hexagonal P6_3cm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(1), three equivalent O(3), and three equivalent O(4) atoms. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(2), three equivalent O(3), and three equivalent O(4) atoms. Sn(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form corner-sharing SnO5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Y(1) and three equivalent Sn(1) atoms to form distorted OYSn3 trigonal pyramids that share corners with six equivalent O(3)Y3Sn tetrahedra, corners with three equivalent O(1)YSn3 trigonal pyramids, corners with three equivalent O(2)YSn3 trigonal pyramids, and edges with three equivalent O(4)Y3Sn tetrahedra. In the second O site, O(2) is bonded to one Y(2) and three equivalent Sn(1) atoms to form OYSn3 trigonal pyramids that share corners with six equivalent O(4)Y3Sn tetrahedra, corners with six equivalent O(1)YSn3 trigonal pyramids, and edges with three equivalent O(3)Y3Sn tetrahedra. In the third O site, O(3) is bonded to one Y(2), two equivalent Y(1), and one Sn(1) atom to form OY3Sn tetrahedra that share corners with four equivalent O(4)Y3Sn tetrahedra, corners with six equivalent O(3)Y3Sn tetrahedra, corners with four equivalent O(1)YSn3 trigonal pyramids, edges with three equivalent O(4)Y3Sn tetrahedra, and  an edgeedge with one O(2)YSn3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Y(2), two equivalent Y(1), and one Sn(1) atom to form OY3Sn tetrahedra that share corners with four equivalent O(3)Y3Sn tetrahedra, corners with six equivalent O(4)Y3Sn tetrahedra, corners with two equivalent O(2)YSn3 trigonal pyramids, edges with three equivalent O(3)Y3Sn tetrahedra, and edges with two equivalent O(1)YSn3 trigonal pyramids. is represented by the CIF file [CIF]
data_YSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.427
_cell_length_b   6.427
_cell_length_c   12.576
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   449.902
_cell_formula_units_Z   6
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  0.667  0.333  0.237  1.0
  Y  Y1  1  0.333  0.667  0.737  1.0
  Y  Y2  1  0.667  0.333  0.737  1.0
  Y  Y3  1  0.333  0.667  0.237  1.0
  Y  Y4  1  0.000  0.000  0.769  1.0
  Y  Y5  1  0.000  0.000  0.269  1.0
  Sn  Sn6  1  0.667  0.000  0.500  1.0
  Sn  Sn7  1  0.667  0.667  0.000  1.0
  Sn  Sn8  1  0.000  0.333  0.000  1.0
  Sn  Sn9  1  0.000  0.667  0.500  1.0
  Sn  Sn10  1  0.333  0.333  0.500  1.0
  Sn  Sn11  1  0.333  0.000  0.000  1.0
  O  O12  1  0.667  0.333  0.026  1.0
  O  O13  1  0.333  0.667  0.526  1.0
  O  O14  1  0.667  0.333  0.526  1.0
  O  O15  1  0.333  0.667  0.026  1.0
  O  O16  1  0.000  0.000  0.971  1.0
  O  O17  1  0.000  0.000  0.471  1.0
  O  O18  1  0.360  0.000  0.829  1.0
  O  O19  1  0.360  0.360  0.329  1.0
  O  O20  1  0.000  0.640  0.329  1.0
  O  O21  1  0.000  0.360  0.829  1.0
  O  O22  1  0.640  0.640  0.829  1.0
  O  O23  1  0.640  0.000  0.329  1.0
  O  O24  1  0.309  0.000  0.174  1.0
  O  O25  1  0.309  0.309  0.674  1.0
  O  O26  1  0.000  0.691  0.674  1.0
  O  O27  1  0.000  0.309  0.174  1.0
  O  O28  1  0.691  0.691  0.174  1.0
  O  O29  1  0.691  0.000  0.674  1.0
[/CIF]
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