The structure described by Y4TiSn3O14 crystallizes in the trigonal R-3m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a body-centered cubic geometry to two equivalent O(3) and six equivalent O(2) atoms. In the second Y site, Y(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. Sn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SnO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. There are three inequivalent O sites. In the first O site, O(3) is bonded to one Y(1) and three equivalent Y(2) atoms to form OY4 tetrahedra that share corners with four equivalent O(3)Y4 tetrahedra, corners with six equivalent O(2)Y2Sn2 tetrahedra, corners with six equivalent O(1)Y2TiSn tetrahedra, edges with three equivalent O(2)Y2Sn2 tetrahedra, and edges with three equivalent O(1)Y2TiSn tetrahedra. In the second O site, O(1) 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(3)Y4 tetrahedra, corners with four equivalent O(2)Y2Sn2 tetrahedra, corners with eight equivalent O(1)Y2TiSn tetrahedra,  an edgeedge with one O(3)Y4 tetrahedra, edges with two equivalent O(2)Y2Sn2 tetrahedra, and edges with two equivalent O(1)Y2TiSn tetrahedra. In the third O site, O(2) is bonded to one Y(1), one Y(2), and two equivalent Sn(1) atoms to form OY2Sn2 tetrahedra that share corners with two equivalent O(3)Y4 tetrahedra, corners with four equivalent O(1)Y2TiSn tetrahedra, corners with eight equivalent O(2)Y2Sn2 tetrahedra,  an edgeedge with one O(3)Y4 tetrahedra, edges with two equivalent O(2)Y2Sn2 tetrahedra, and edges with two equivalent O(1)Y2TiSn tetrahedra. is represented by the CIF file [CIF]
data_Y4TiSn3O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.396
_cell_length_b   7.396
_cell_length_c   7.396
_cell_angle_alpha   59.668
_cell_angle_beta   59.668
_cell_angle_gamma   59.668
_symmetry_Int_Tables_number   1
_cell_volume   283.892
_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  0.000  0.000  1.0
  Sn  Sn5  1  0.000  0.500  0.000  1.0
  Sn  Sn6  1  0.500  0.000  0.000  1.0
  Sn  Sn7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.920  0.920  0.324  1.0
  O  O9  1  0.324  0.920  0.920  1.0
  O  O10  1  0.920  0.324  0.920  1.0
  O  O11  1  0.342  0.342  0.912  1.0
  O  O12  1  0.912  0.342  0.342  1.0
  O  O13  1  0.342  0.912  0.342  1.0
  O  O14  1  0.080  0.080  0.676  1.0
  O  O15  1  0.676  0.080  0.080  1.0
  O  O16  1  0.080  0.676  0.080  1.0
  O  O17  1  0.658  0.658  0.088  1.0
  O  O18  1  0.088  0.658  0.658  1.0
  O  O19  1  0.658  0.088  0.658  1.0
  O  O20  1  0.626  0.626  0.626  1.0
  O  O21  1  0.374  0.374  0.374  1.0
[/CIF]
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The structure described by Y4TiSn3O14 crystallizes in the trigonal R-3m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a body-centered cubic geometry to two equivalent O(3) and six equivalent O(2) atoms. In the second Y site, Y(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. Sn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SnO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. There are three inequivalent O sites. In the first O site, O(3) is bonded to one Y(1) and three equivalent Y(2) atoms to form OY4 tetrahedra that share corners with four equivalent O(3)Y4 tetrahedra, corners with six equivalent O(2)Y2Sn2 tetrahedra, corners with six equivalent O(1)Y2TiSn tetrahedra, edges with three equivalent O(2)Y2Sn2 tetrahedra, and edges with three equivalent O(1)Y2TiSn tetrahedra. In the second O site, O(1) 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(3)Y4 tetrahedra, corners with four equivalent O(2)Y2Sn2 tetrahedra, corners with eight equivalent O(1)Y2TiSn tetrahedra,  an edgeedge with one O(3)Y4 tetrahedra, edges with two equivalent O(2)Y2Sn2 tetrahedra, and edges with two equivalent O(1)Y2TiSn tetrahedra. In the third O site, O(2) is bonded to one Y(1), one Y(2), and two equivalent Sn(1) atoms to form OY2Sn2 tetrahedra that share corners with two equivalent O(3)Y4 tetrahedra, corners with four equivalent O(1)Y2TiSn tetrahedra, corners with eight equivalent O(2)Y2Sn2 tetrahedra,  an edgeedge with one O(3)Y4 tetrahedra, edges with two equivalent O(2)Y2Sn2 tetrahedra, and edges with two equivalent O(1)Y2TiSn tetrahedra. is represented by the CIF file [CIF]
data_Y4TiSn3O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.396
_cell_length_b   7.396
_cell_length_c   7.396
_cell_angle_alpha   59.668
_cell_angle_beta   59.668
_cell_angle_gamma   59.668
_symmetry_Int_Tables_number   1
_cell_volume   283.892
_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  0.000  0.000  1.0
  Sn  Sn5  1  0.000  0.500  0.000  1.0
  Sn  Sn6  1  0.500  0.000  0.000  1.0
  Sn  Sn7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.920  0.920  0.324  1.0
  O  O9  1  0.324  0.920  0.920  1.0
  O  O10  1  0.920  0.324  0.920  1.0
  O  O11  1  0.342  0.342  0.912  1.0
  O  O12  1  0.912  0.342  0.342  1.0
  O  O13  1  0.342  0.912  0.342  1.0
  O  O14  1  0.080  0.080  0.676  1.0
  O  O15  1  0.676  0.080  0.080  1.0
  O  O16  1  0.080  0.676  0.080  1.0
  O  O17  1  0.658  0.658  0.088  1.0
  O  O18  1  0.088  0.658  0.658  1.0
  O  O19  1  0.658  0.088  0.658  1.0
  O  O20  1  0.626  0.626  0.626  1.0
  O  O21  1  0.374  0.374  0.374  1.0
[/CIF]
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