The structure described by Y3Sn4BiO14 crystallizes in the trigonal R-3m space group. Y(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to six equivalent O(3) atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Sn site, Sn(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. Bi(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Y(1) and one Bi(1) atom to form OY3Bi tetrahedra that share corners with four equivalent O(1)Y3Bi tetrahedra, corners with six equivalent O(3)Y2Sn2 tetrahedra, corners with six equivalent O(2)YSn2Bi tetrahedra, edges with three equivalent O(3)Y2Sn2 tetrahedra, and edges with three equivalent O(2)YSn2Bi tetrahedra. In the second O site, O(2) is bonded to one Y(1), two equivalent Sn(2), and one Bi(1) atom to form distorted OYSn2Bi tetrahedra that share corners with two equivalent O(1)Y3Bi tetrahedra, corners with four equivalent O(3)Y2Sn2 tetrahedra, corners with eight equivalent O(2)YSn2Bi tetrahedra,  an edgeedge with one O(1)Y3Bi tetrahedra, edges with two equivalent O(3)Y2Sn2 tetrahedra, and edges with two equivalent O(2)YSn2Bi tetrahedra. In the third O site, O(3) is bonded to two equivalent Y(1), one Sn(1), and one Sn(2) atom to form distorted OY2Sn2 tetrahedra that share corners with two equivalent O(1)Y3Bi tetrahedra, corners with four equivalent O(2)YSn2Bi tetrahedra, corners with eight equivalent O(3)Y2Sn2 tetrahedra,  an edgeedge with one O(1)Y3Bi tetrahedra, edges with two equivalent O(3)Y2Sn2 tetrahedra, and edges with two equivalent O(2)YSn2Bi tetrahedra. is represented by the CIF file [CIF]
data_Y3Sn4BiO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.463
_cell_length_b   7.463
_cell_length_c   7.463
_cell_angle_alpha   60.222
_cell_angle_beta   60.222
_cell_angle_gamma   60.222
_symmetry_Int_Tables_number   1
_cell_volume   295.430
_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  0.000  0.500  0.500  1.0
  Y  Y1  1  0.500  0.500  0.000  1.0
  Y  Y2  1  0.500  0.000  0.500  1.0
  Sn  Sn3  1  0.000  0.000  0.000  1.0
  Sn  Sn4  1  0.500  0.000  0.000  1.0
  Sn  Sn5  1  0.000  0.000  0.500  1.0
  Sn  Sn6  1  0.000  0.500  0.000  1.0
  Bi  Bi7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.371  0.371  0.371  1.0
  O  O9  1  0.629  0.629  0.629  1.0
  O  O10  1  0.918  0.337  0.337  1.0
  O  O11  1  0.337  0.912  0.912  1.0
  O  O12  1  0.337  0.337  0.918  1.0
  O  O13  1  0.912  0.912  0.337  1.0
  O  O14  1  0.912  0.337  0.912  1.0
  O  O15  1  0.337  0.918  0.337  1.0
  O  O16  1  0.082  0.663  0.663  1.0
  O  O17  1  0.663  0.088  0.088  1.0
  O  O18  1  0.663  0.663  0.082  1.0
  O  O19  1  0.088  0.088  0.663  1.0
  O  O20  1  0.088  0.663  0.088  1.0
  O  O21  1  0.663  0.082  0.663  1.0
[/CIF]
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The structure described by Y3Sn4BiO14 crystallizes in the trigonal R-3m space group. Y(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to six equivalent O(3) atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Sn site, Sn(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. Bi(1) is bonded in a body-centered cubic geometry to two equivalent O(1) and six equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Y(1) and one Bi(1) atom to form OY3Bi tetrahedra that share corners with four equivalent O(1)Y3Bi tetrahedra, corners with six equivalent O(3)Y2Sn2 tetrahedra, corners with six equivalent O(2)YSn2Bi tetrahedra, edges with three equivalent O(3)Y2Sn2 tetrahedra, and edges with three equivalent O(2)YSn2Bi tetrahedra. In the second O site, O(2) is bonded to one Y(1), two equivalent Sn(2), and one Bi(1) atom to form distorted OYSn2Bi tetrahedra that share corners with two equivalent O(1)Y3Bi tetrahedra, corners with four equivalent O(3)Y2Sn2 tetrahedra, corners with eight equivalent O(2)YSn2Bi tetrahedra,  an edgeedge with one O(1)Y3Bi tetrahedra, edges with two equivalent O(3)Y2Sn2 tetrahedra, and edges with two equivalent O(2)YSn2Bi tetrahedra. In the third O site, O(3) is bonded to two equivalent Y(1), one Sn(1), and one Sn(2) atom to form distorted OY2Sn2 tetrahedra that share corners with two equivalent O(1)Y3Bi tetrahedra, corners with four equivalent O(2)YSn2Bi tetrahedra, corners with eight equivalent O(3)Y2Sn2 tetrahedra,  an edgeedge with one O(1)Y3Bi tetrahedra, edges with two equivalent O(3)Y2Sn2 tetrahedra, and edges with two equivalent O(2)YSn2Bi tetrahedra. is represented by the CIF file [CIF]
data_Y3Sn4BiO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.463
_cell_length_b   7.463
_cell_length_c   7.463
_cell_angle_alpha   60.222
_cell_angle_beta   60.222
_cell_angle_gamma   60.222
_symmetry_Int_Tables_number   1
_cell_volume   295.430
_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  0.000  0.500  0.500  1.0
  Y  Y1  1  0.500  0.500  0.000  1.0
  Y  Y2  1  0.500  0.000  0.500  1.0
  Sn  Sn3  1  0.000  0.000  0.000  1.0
  Sn  Sn4  1  0.500  0.000  0.000  1.0
  Sn  Sn5  1  0.000  0.000  0.500  1.0
  Sn  Sn6  1  0.000  0.500  0.000  1.0
  Bi  Bi7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.371  0.371  0.371  1.0
  O  O9  1  0.629  0.629  0.629  1.0
  O  O10  1  0.918  0.337  0.337  1.0
  O  O11  1  0.337  0.912  0.912  1.0
  O  O12  1  0.337  0.337  0.918  1.0
  O  O13  1  0.912  0.912  0.337  1.0
  O  O14  1  0.912  0.337  0.912  1.0
  O  O15  1  0.337  0.918  0.337  1.0
  O  O16  1  0.082  0.663  0.663  1.0
  O  O17  1  0.663  0.088  0.088  1.0
  O  O18  1  0.663  0.663  0.082  1.0
  O  O19  1  0.088  0.088  0.663  1.0
  O  O20  1  0.088  0.663  0.088  1.0
  O  O21  1  0.663  0.082  0.663  1.0
[/CIF]
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