The structure described by CaY4Sb3O14 crystallizes in the trigonal R-3m space group. Ca(1) is bonded to six equivalent O(1) atoms to form distorted CaO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. In the second Y site, Y(2) is bonded to two equivalent O(3) and six equivalent O(2) atoms to form YO8 hexagonal bipyramids that share edges with six equivalent Sb(1)O6 octahedra. Sb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SbO6 octahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, and edges with two equivalent Y(2)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 45-63°. There are three inequivalent O sites. In the first O site, O(3) is bonded to one Y(2) and three equivalent Y(1) atoms to form OY4 tetrahedra that share corners with four equivalent O(3)Y4 tetrahedra, corners with six equivalent O(1)CaY2Sb tetrahedra, and edges with three equivalent O(1)CaY2Sb tetrahedra. In the second O site, O(1) is bonded to one Ca(1), two equivalent Y(1), and one Sb(1) atom to form OCaY2Sb tetrahedra that share corners with two equivalent O(3)Y4 tetrahedra, corners with eight equivalent O(1)CaY2Sb tetrahedra,  an edgeedge with one O(3)Y4 tetrahedra, and edges with two equivalent O(1)CaY2Sb tetrahedra. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), and two equivalent Sb(1) atoms. is represented by the CIF file [CIF]
data_CaY4Sb3O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.485
_cell_length_b   7.485
_cell_length_c   7.485
_cell_angle_alpha   60.500
_cell_angle_beta   60.500
_cell_angle_gamma   60.500
_symmetry_Int_Tables_number   1
_cell_volume   299.877
_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
  Ca  Ca0  1  0.000  0.000  0.000  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
  Y  Y4  1  0.500  0.500  0.500  1.0
  Sb  Sb5  1  0.000  0.000  0.500  1.0
  Sb  Sb6  1  0.500  0.000  0.000  1.0
  Sb  Sb7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.107  0.107  0.619  1.0
  O  O9  1  0.893  0.893  0.381  1.0
  O  O10  1  0.381  0.893  0.893  1.0
  O  O11  1  0.619  0.107  0.107  1.0
  O  O12  1  0.902  0.321  0.321  1.0
  O  O13  1  0.098  0.679  0.679  1.0
  O  O14  1  0.679  0.679  0.098  1.0
  O  O15  1  0.321  0.321  0.902  1.0
  O  O16  1  0.379  0.379  0.379  1.0
  O  O17  1  0.621  0.621  0.621  1.0
  O  O18  1  0.893  0.381  0.893  1.0
  O  O19  1  0.107  0.619  0.107  1.0
  O  O20  1  0.679  0.098  0.679  1.0
  O  O21  1  0.321  0.902  0.321  1.0
[/CIF]
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The structure described by CaY4Sb3O14 crystallizes in the trigonal R-3m space group. Ca(1) is bonded to six equivalent O(1) atoms to form distorted CaO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. In the second Y site, Y(2) is bonded to two equivalent O(3) and six equivalent O(2) atoms to form YO8 hexagonal bipyramids that share edges with six equivalent Sb(1)O6 octahedra. Sb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SbO6 octahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, and edges with two equivalent Y(2)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 45-63°. There are three inequivalent O sites. In the first O site, O(3) is bonded to one Y(2) and three equivalent Y(1) atoms to form OY4 tetrahedra that share corners with four equivalent O(3)Y4 tetrahedra, corners with six equivalent O(1)CaY2Sb tetrahedra, and edges with three equivalent O(1)CaY2Sb tetrahedra. In the second O site, O(1) is bonded to one Ca(1), two equivalent Y(1), and one Sb(1) atom to form OCaY2Sb tetrahedra that share corners with two equivalent O(3)Y4 tetrahedra, corners with eight equivalent O(1)CaY2Sb tetrahedra,  an edgeedge with one O(3)Y4 tetrahedra, and edges with two equivalent O(1)CaY2Sb tetrahedra. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), and two equivalent Sb(1) atoms. is represented by the CIF file [CIF]
data_CaY4Sb3O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.485
_cell_length_b   7.485
_cell_length_c   7.485
_cell_angle_alpha   60.500
_cell_angle_beta   60.500
_cell_angle_gamma   60.500
_symmetry_Int_Tables_number   1
_cell_volume   299.877
_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
  Ca  Ca0  1  0.000  0.000  0.000  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
  Y  Y4  1  0.500  0.500  0.500  1.0
  Sb  Sb5  1  0.000  0.000  0.500  1.0
  Sb  Sb6  1  0.500  0.000  0.000  1.0
  Sb  Sb7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.107  0.107  0.619  1.0
  O  O9  1  0.893  0.893  0.381  1.0
  O  O10  1  0.381  0.893  0.893  1.0
  O  O11  1  0.619  0.107  0.107  1.0
  O  O12  1  0.902  0.321  0.321  1.0
  O  O13  1  0.098  0.679  0.679  1.0
  O  O14  1  0.679  0.679  0.098  1.0
  O  O15  1  0.321  0.321  0.902  1.0
  O  O16  1  0.379  0.379  0.379  1.0
  O  O17  1  0.621  0.621  0.621  1.0
  O  O18  1  0.893  0.381  0.893  1.0
  O  O19  1  0.107  0.619  0.107  1.0
  O  O20  1  0.679  0.098  0.679  1.0
  O  O21  1  0.321  0.902  0.321  1.0
[/CIF]
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