The crystal structure described by NdTi2CdO6F crystallizes in the orthorhombic Imma space group. Nd(1) is bonded to two equivalent O(1), four equivalent O(2), and two equivalent F(1) atoms to form distorted NdO6F2 hexagonal bipyramids that share edges with two equivalent Nd(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(1) and four equivalent O(2) 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 Nd(1)O6F2 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 47-50°. In the second Ti site, Ti(2) is bonded to two equivalent O(3) and four equivalent O(2) 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 Nd(1)O6F2 hexagonal bipyramids, and edges with four equivalent Cd(1)O6F2 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 45-47°. Cd(1) is bonded to two equivalent O(3), four equivalent O(2), 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 Nd(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 to two equivalent Nd(1) and two equivalent Ti(1) atoms to form distorted ONd2Ti2 tetrahedra that share corners with two equivalent F(1)Nd2Cd2 tetrahedra, corners with four equivalent O(1)Nd2Ti2 tetrahedra, and  an edgeedge with one F(1)Nd2Cd2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Nd(1), one Ti(1), one Ti(2), and one Cd(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ti(2) and two equivalent Cd(1) atoms. F(1) is bonded to two equivalent Nd(1) and two equivalent Cd(1) atoms to form FNd2Cd2 tetrahedra that share corners with two equivalent O(1)Nd2Ti2 tetrahedra, corners with four equivalent F(1)Nd2Cd2 tetrahedra, and  an edgeedge with one O(1)Nd2Ti2 tetrahedra. is represented by the CIF file [CIF]
data_NdTi2CdO6F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.278
_cell_length_b   7.278
_cell_length_c   7.278
_cell_angle_alpha   120.782
_cell_angle_beta   118.386
_cell_angle_gamma   90.734
_symmetry_Int_Tables_number   1
_cell_volume   274.190
_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
  Nd  Nd0  1  0.500  0.000  0.500  1.0
  Nd  Nd1  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  0.500  1.0
  Ti  Ti4  1  0.500  0.500  0.000  1.0
  Ti  Ti5  1  0.000  0.500  0.500  1.0
  Cd  Cd6  1  0.000  0.000  0.500  1.0
  Cd  Cd7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.418  0.168  0.250  1.0
  O  O9  1  0.429  0.172  0.848  1.0
  O  O10  1  0.824  0.172  0.242  1.0
  O  O11  1  0.429  0.581  0.258  1.0
  O  O12  1  0.826  0.576  0.250  1.0
  O  O13  1  0.824  0.581  0.652  1.0
  O  O14  1  0.176  0.419  0.348  1.0
  O  O15  1  0.174  0.424  0.750  1.0
  O  O16  1  0.176  0.828  0.758  1.0
  O  O17  1  0.571  0.419  0.742  1.0
  O  O18  1  0.582  0.832  0.750  1.0
  O  O19  1  0.571  0.828  0.152  1.0
  F  F20  1  0.877  0.127  0.750  1.0
  F  F21  1  0.123  0.873  0.250  1.0
[/CIF]
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The crystal structure described by NdTi2CdO6F crystallizes in the orthorhombic Imma space group. Nd(1) is bonded to two equivalent O(1), four equivalent O(2), and two equivalent F(1) atoms to form distorted NdO6F2 hexagonal bipyramids that share edges with two equivalent Nd(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(1) and four equivalent O(2) 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 Nd(1)O6F2 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 47-50°. In the second Ti site, Ti(2) is bonded to two equivalent O(3) and four equivalent O(2) 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 Nd(1)O6F2 hexagonal bipyramids, and edges with four equivalent Cd(1)O6F2 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 45-47°. Cd(1) is bonded to two equivalent O(3), four equivalent O(2), 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 Nd(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 to two equivalent Nd(1) and two equivalent Ti(1) atoms to form distorted ONd2Ti2 tetrahedra that share corners with two equivalent F(1)Nd2Cd2 tetrahedra, corners with four equivalent O(1)Nd2Ti2 tetrahedra, and  an edgeedge with one F(1)Nd2Cd2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Nd(1), one Ti(1), one Ti(2), and one Cd(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ti(2) and two equivalent Cd(1) atoms. F(1) is bonded to two equivalent Nd(1) and two equivalent Cd(1) atoms to form FNd2Cd2 tetrahedra that share corners with two equivalent O(1)Nd2Ti2 tetrahedra, corners with four equivalent F(1)Nd2Cd2 tetrahedra, and  an edgeedge with one O(1)Nd2Ti2 tetrahedra. is represented by the CIF file [CIF]
data_NdTi2CdO6F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.278
_cell_length_b   7.278
_cell_length_c   7.278
_cell_angle_alpha   120.782
_cell_angle_beta   118.386
_cell_angle_gamma   90.734
_symmetry_Int_Tables_number   1
_cell_volume   274.190
_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
  Nd  Nd0  1  0.500  0.000  0.500  1.0
  Nd  Nd1  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  0.500  1.0
  Ti  Ti4  1  0.500  0.500  0.000  1.0
  Ti  Ti5  1  0.000  0.500  0.500  1.0
  Cd  Cd6  1  0.000  0.000  0.500  1.0
  Cd  Cd7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.418  0.168  0.250  1.0
  O  O9  1  0.429  0.172  0.848  1.0
  O  O10  1  0.824  0.172  0.242  1.0
  O  O11  1  0.429  0.581  0.258  1.0
  O  O12  1  0.826  0.576  0.250  1.0
  O  O13  1  0.824  0.581  0.652  1.0
  O  O14  1  0.176  0.419  0.348  1.0
  O  O15  1  0.174  0.424  0.750  1.0
  O  O16  1  0.176  0.828  0.758  1.0
  O  O17  1  0.571  0.419  0.742  1.0
  O  O18  1  0.582  0.832  0.750  1.0
  O  O19  1  0.571  0.828  0.152  1.0
  F  F20  1  0.877  0.127  0.750  1.0
  F  F21  1  0.123  0.873  0.250  1.0
[/CIF]
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