The compound described by Y4Ti3SnO14 crystallizes in the trigonal R-3m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent O(1) and six equivalent O(3) atoms to form distorted YO8 hexagonal bipyramids that share edges with six equivalent Ti(1)O6 octahedra. In the second Y site, Y(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Ti(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form TiO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, and edges with two equivalent Y(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 46-53°. Sn(1) is bonded to six equivalent O(2) atoms to form SnO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Y(1) and three equivalent Y(2) atoms to form OY4 tetrahedra that share corners with four equivalent O(1)Y4 tetrahedra, corners with six equivalent O(2)Y2TiSn tetrahedra, and edges with three equivalent O(2)Y2TiSn tetrahedra. In the second O site, O(2) is bonded to two equivalent Y(2), one Ti(1), and one Sn(1) atom to form distorted OY2TiSn tetrahedra that share corners with two equivalent O(1)Y4 tetrahedra, corners with eight equivalent O(2)Y2TiSn tetrahedra,  an edgeedge with one O(1)Y4 tetrahedra, and edges with two equivalent O(2)Y2TiSn tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_Y4Ti3SnO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.264
_cell_length_b   7.264
_cell_length_c   7.264
_cell_angle_alpha   59.960
_cell_angle_beta   59.960
_cell_angle_gamma   59.960
_symmetry_Int_Tables_number   1
_cell_volume   270.780
_cell_formula_units_Z   1
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  0.500  0.500  0.500  1.0
  Y  Y1  1  0.500  0.000  0.500  1.0
  Y  Y2  1  0.000  0.500  0.500  1.0
  Y  Y3  1  0.500  0.500  0.000  1.0
  Ti  Ti4  1  0.000  0.500  0.000  1.0
  Ti  Ti5  1  0.500  0.000  0.000  1.0
  Ti  Ti6  1  0.000  0.000  0.500  1.0
  Sn  Sn7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.624  0.624  0.624  1.0
  O  O9  1  0.376  0.376  0.376  1.0
  O  O10  1  0.912  0.912  0.345  1.0
  O  O11  1  0.345  0.912  0.912  1.0
  O  O12  1  0.912  0.345  0.912  1.0
  O  O13  1  0.325  0.325  0.920  1.0
  O  O14  1  0.920  0.325  0.325  1.0
  O  O15  1  0.325  0.920  0.325  1.0
  O  O16  1  0.088  0.088  0.655  1.0
  O  O17  1  0.655  0.088  0.088  1.0
  O  O18  1  0.088  0.655  0.088  1.0
  O  O19  1  0.675  0.675  0.080  1.0
  O  O20  1  0.080  0.675  0.675  1.0
  O  O21  1  0.675  0.080  0.675  1.0
[/CIF]
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The compound described by Y4Ti3SnO14 crystallizes in the trigonal R-3m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent O(1) and six equivalent O(3) atoms to form distorted YO8 hexagonal bipyramids that share edges with six equivalent Ti(1)O6 octahedra. In the second Y site, Y(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Ti(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form TiO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, and edges with two equivalent Y(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 46-53°. Sn(1) is bonded to six equivalent O(2) atoms to form SnO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Y(1) and three equivalent Y(2) atoms to form OY4 tetrahedra that share corners with four equivalent O(1)Y4 tetrahedra, corners with six equivalent O(2)Y2TiSn tetrahedra, and edges with three equivalent O(2)Y2TiSn tetrahedra. In the second O site, O(2) is bonded to two equivalent Y(2), one Ti(1), and one Sn(1) atom to form distorted OY2TiSn tetrahedra that share corners with two equivalent O(1)Y4 tetrahedra, corners with eight equivalent O(2)Y2TiSn tetrahedra,  an edgeedge with one O(1)Y4 tetrahedra, and edges with two equivalent O(2)Y2TiSn tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_Y4Ti3SnO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.264
_cell_length_b   7.264
_cell_length_c   7.264
_cell_angle_alpha   59.960
_cell_angle_beta   59.960
_cell_angle_gamma   59.960
_symmetry_Int_Tables_number   1
_cell_volume   270.780
_cell_formula_units_Z   1
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  0.500  0.500  0.500  1.0
  Y  Y1  1  0.500  0.000  0.500  1.0
  Y  Y2  1  0.000  0.500  0.500  1.0
  Y  Y3  1  0.500  0.500  0.000  1.0
  Ti  Ti4  1  0.000  0.500  0.000  1.0
  Ti  Ti5  1  0.500  0.000  0.000  1.0
  Ti  Ti6  1  0.000  0.000  0.500  1.0
  Sn  Sn7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.624  0.624  0.624  1.0
  O  O9  1  0.376  0.376  0.376  1.0
  O  O10  1  0.912  0.912  0.345  1.0
  O  O11  1  0.345  0.912  0.912  1.0
  O  O12  1  0.912  0.345  0.912  1.0
  O  O13  1  0.325  0.325  0.920  1.0
  O  O14  1  0.920  0.325  0.325  1.0
  O  O15  1  0.325  0.920  0.325  1.0
  O  O16  1  0.088  0.088  0.655  1.0
  O  O17  1  0.655  0.088  0.088  1.0
  O  O18  1  0.088  0.655  0.088  1.0
  O  O19  1  0.675  0.675  0.080  1.0
  O  O20  1  0.080  0.675  0.675  1.0
  O  O21  1  0.675  0.080  0.675  1.0
[/CIF]
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