The compound described by YTi2CdO6F crystallizes in the orthorhombic Imma space group. Y(1) is bonded to two equivalent O(2), four equivalent O(1), and two equivalent F(1) atoms to form distorted YO6F2 hexagonal bipyramids that share edges with two equivalent Y(1)O6F2 hexagonal bipyramids, edges with four equivalent Cd(1)O6F2 hexagonal bipyramids, edges with two equivalent Ti(2)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, edges with two equivalent Cd(1)O6F2 hexagonal bipyramids, and edges with four equivalent Y(1)O6F2 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 48-52°. In the second Ti site, Ti(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, edges with two equivalent Y(1)O6F2 hexagonal bipyramids, and edges with four equivalent Cd(1)O6F2 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 47-48°. Cd(1) is bonded to two equivalent O(3), four equivalent O(1), and two equivalent F(1) atoms to form distorted CdO6F2 hexagonal bipyramids that share edges with two equivalent Cd(1)O6F2 hexagonal bipyramids, edges with four equivalent Y(1)O6F2 hexagonal bipyramids, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Ti(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Y(1), one Ti(1), one Ti(2), and one Cd(1) atom. In the second O site, O(2) is bonded to two equivalent Y(1) and two equivalent Ti(1) atoms to form distorted OY2Ti2 tetrahedra that share corners with two equivalent F(1)Y2Cd2 tetrahedra, corners with four equivalent O(2)Y2Ti2 tetrahedra, and  an edgeedge with one F(1)Y2Cd2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Ti(2) and two equivalent Cd(1) atoms to form distorted OTi2Cd2 tetrahedra that share corners with two equivalent F(1)Y2Cd2 tetrahedra, corners with four equivalent O(3)Ti2Cd2 tetrahedra, and  an edgeedge with one F(1)Y2Cd2 tetrahedra. F(1) is bonded to two equivalent Y(1) and two equivalent Cd(1) atoms to form FY2Cd2 tetrahedra that share corners with two equivalent O(3)Ti2Cd2 tetrahedra, corners with two equivalent O(2)Y2Ti2 tetrahedra, corners with four equivalent F(1)Y2Cd2 tetrahedra,  an edgeedge with one O(3)Ti2Cd2 tetrahedra, and  an edgeedge with one O(2)Y2Ti2 tetrahedra. is represented by the CIF card [CIF]
data_YTi2CdO6F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.226
_cell_length_b   7.226
_cell_length_c   7.226
_cell_angle_alpha   121.185
_cell_angle_beta   118.329
_cell_angle_gamma   90.439
_symmetry_Int_Tables_number   1
_cell_volume   267.522
_cell_formula_units_Z   2
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  0.000  0.500  1.0
  Y  Y1  1  0.000  0.000  0.000  1.0
  Ti  Ti2  1  0.500  0.000  0.000  1.0
  Ti  Ti3  1  0.500  0.500  0.000  1.0
  Ti  Ti4  1  0.500  0.500  0.500  1.0
  Ti  Ti5  1  0.000  0.500  0.500  1.0
  Cd  Cd6  1  0.000  0.500  0.000  1.0
  Cd  Cd7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.428  0.168  0.842  1.0
  O  O9  1  0.415  0.165  0.250  1.0
  O  O10  1  0.428  0.587  0.260  1.0
  O  O11  1  0.827  0.168  0.240  1.0
  O  O12  1  0.827  0.587  0.658  1.0
  O  O13  1  0.829  0.579  0.250  1.0
  O  O14  1  0.173  0.413  0.342  1.0
  O  O15  1  0.171  0.421  0.750  1.0
  O  O16  1  0.173  0.832  0.760  1.0
  O  O17  1  0.572  0.413  0.740  1.0
  O  O18  1  0.585  0.835  0.750  1.0
  O  O19  1  0.572  0.832  0.158  1.0
  F  F20  1  0.866  0.116  0.750  1.0
  F  F21  1  0.134  0.884  0.250  1.0
[/CIF]
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The compound described by YTi2CdO6F crystallizes in the orthorhombic Imma space group. Y(1) is bonded to two equivalent O(2), four equivalent O(1), and two equivalent F(1) atoms to form distorted YO6F2 hexagonal bipyramids that share edges with two equivalent Y(1)O6F2 hexagonal bipyramids, edges with four equivalent Cd(1)O6F2 hexagonal bipyramids, edges with two equivalent Ti(2)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, edges with two equivalent Cd(1)O6F2 hexagonal bipyramids, and edges with four equivalent Y(1)O6F2 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 48-52°. In the second Ti site, Ti(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, edges with two equivalent Y(1)O6F2 hexagonal bipyramids, and edges with four equivalent Cd(1)O6F2 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 47-48°. Cd(1) is bonded to two equivalent O(3), four equivalent O(1), and two equivalent F(1) atoms to form distorted CdO6F2 hexagonal bipyramids that share edges with two equivalent Cd(1)O6F2 hexagonal bipyramids, edges with four equivalent Y(1)O6F2 hexagonal bipyramids, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Ti(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Y(1), one Ti(1), one Ti(2), and one Cd(1) atom. In the second O site, O(2) is bonded to two equivalent Y(1) and two equivalent Ti(1) atoms to form distorted OY2Ti2 tetrahedra that share corners with two equivalent F(1)Y2Cd2 tetrahedra, corners with four equivalent O(2)Y2Ti2 tetrahedra, and  an edgeedge with one F(1)Y2Cd2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Ti(2) and two equivalent Cd(1) atoms to form distorted OTi2Cd2 tetrahedra that share corners with two equivalent F(1)Y2Cd2 tetrahedra, corners with four equivalent O(3)Ti2Cd2 tetrahedra, and  an edgeedge with one F(1)Y2Cd2 tetrahedra. F(1) is bonded to two equivalent Y(1) and two equivalent Cd(1) atoms to form FY2Cd2 tetrahedra that share corners with two equivalent O(3)Ti2Cd2 tetrahedra, corners with two equivalent O(2)Y2Ti2 tetrahedra, corners with four equivalent F(1)Y2Cd2 tetrahedra,  an edgeedge with one O(3)Ti2Cd2 tetrahedra, and  an edgeedge with one O(2)Y2Ti2 tetrahedra. is represented by the CIF card [CIF]
data_YTi2CdO6F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.226
_cell_length_b   7.226
_cell_length_c   7.226
_cell_angle_alpha   121.185
_cell_angle_beta   118.329
_cell_angle_gamma   90.439
_symmetry_Int_Tables_number   1
_cell_volume   267.522
_cell_formula_units_Z   2
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  0.000  0.500  1.0
  Y  Y1  1  0.000  0.000  0.000  1.0
  Ti  Ti2  1  0.500  0.000  0.000  1.0
  Ti  Ti3  1  0.500  0.500  0.000  1.0
  Ti  Ti4  1  0.500  0.500  0.500  1.0
  Ti  Ti5  1  0.000  0.500  0.500  1.0
  Cd  Cd6  1  0.000  0.500  0.000  1.0
  Cd  Cd7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.428  0.168  0.842  1.0
  O  O9  1  0.415  0.165  0.250  1.0
  O  O10  1  0.428  0.587  0.260  1.0
  O  O11  1  0.827  0.168  0.240  1.0
  O  O12  1  0.827  0.587  0.658  1.0
  O  O13  1  0.829  0.579  0.250  1.0
  O  O14  1  0.173  0.413  0.342  1.0
  O  O15  1  0.171  0.421  0.750  1.0
  O  O16  1  0.173  0.832  0.760  1.0
  O  O17  1  0.572  0.413  0.740  1.0
  O  O18  1  0.585  0.835  0.750  1.0
  O  O19  1  0.572  0.832  0.158  1.0
  F  F20  1  0.866  0.116  0.750  1.0
  F  F21  1  0.134  0.884  0.250  1.0
[/CIF]
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