The material described by NaDy3Ti2(SbO7)2 crystallizes in the monoclinic C2/m space group. Na(1) is bonded to two equivalent O(2), two equivalent O(5), and four equivalent O(4) atoms to form distorted NaO8 hexagonal bipyramids that share edges with two equivalent Dy(1)O8 hexagonal bipyramids, edges with four equivalent Dy(2)O8 hexagonal bipyramids, edges with two equivalent Ti(2)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to two equivalent O(2), two equivalent O(5), and four equivalent O(3) atoms to form distorted DyO8 hexagonal bipyramids that share edges with two equivalent Na(1)O8 hexagonal bipyramids, edges with four equivalent Dy(2)O8 hexagonal bipyramids, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. In the second Dy site, Dy(2) is bonded to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted DyO8 hexagonal bipyramids that share edges with two equivalent Na(1)O8 hexagonal bipyramids, edges with two equivalent Dy(1)O8 hexagonal bipyramids, edges with two equivalent Dy(2)O8 hexagonal bipyramids, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Sb(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(3) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, edges with two equivalent Dy(1)O8 hexagonal bipyramids, and edges with four equivalent Dy(2)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 45-48°. In the second Ti site, Ti(2) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, edges with two equivalent Na(1)O8 hexagonal bipyramids, and edges with four equivalent Dy(2)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 45°. Sb(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, edges with two equivalent Na(1)O8 hexagonal bipyramids, edges with two equivalent Dy(1)O8 hexagonal bipyramids, and edges with two equivalent Dy(2)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 45-49°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Dy(2), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded to one Na(1), one Dy(1), and two equivalent Sb(1) atoms to form distorted ONaDySb2 tetrahedra that share corners with two equivalent O(5)NaDy3 tetrahedra, corners with four equivalent O(2)NaDySb2 tetrahedra, and  an edgeedge with one O(5)NaDy3 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Dy(1), one Dy(2), one Ti(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Dy(2), one Ti(2), and one Sb(1) atom. In the fifth O site, O(5) is bonded to one Na(1), one Dy(1), and two equivalent Dy(2) atoms to form ONaDy3 tetrahedra that share corners with two equivalent O(2)NaDySb2 tetrahedra, corners with four equivalent O(5)NaDy3 tetrahedra, and  an edgeedge with one O(2)NaDySb2 tetrahedra. is represented by the CIF card [CIF]
data_NaDy3Ti2(SbO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.261
_cell_length_b   7.261
_cell_length_c   7.210
_cell_angle_alpha   60.680
_cell_angle_beta   60.680
_cell_angle_gamma   60.883
_symmetry_Int_Tables_number   1
_cell_volume   273.301
_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
  Na  Na0  1  0.000  0.000  0.000  1.0
  Dy  Dy1  1  0.000  0.000  0.500  1.0
  Dy  Dy2  1  0.500  0.000  0.000  1.0
  Dy  Dy3  1  0.000  0.500  0.000  1.0
  Ti  Ti4  1  0.500  0.500  0.500  1.0
  Ti  Ti5  1  0.500  0.500  0.000  1.0
  Sb  Sb6  1  0.000  0.500  0.500  1.0
  Sb  Sb7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.572  0.572  0.180  1.0
  O  O9  1  0.169  0.169  0.573  1.0
  O  O10  1  0.174  0.579  0.579  1.0
  O  O11  1  0.563  0.177  0.175  1.0
  O  O12  1  0.177  0.563  0.175  1.0
  O  O13  1  0.579  0.174  0.579  1.0
  O  O14  1  0.428  0.428  0.820  1.0
  O  O15  1  0.831  0.831  0.427  1.0
  O  O16  1  0.826  0.421  0.421  1.0
  O  O17  1  0.437  0.823  0.825  1.0
  O  O18  1  0.823  0.437  0.825  1.0
  O  O19  1  0.421  0.826  0.421  1.0
  O  O20  1  0.867  0.867  0.869  1.0
  O  O21  1  0.133  0.133  0.131  1.0
[/CIF]
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The material described by NaDy3Ti2(SbO7)2 crystallizes in the monoclinic C2/m space group. Na(1) is bonded to two equivalent O(2), two equivalent O(5), and four equivalent O(4) atoms to form distorted NaO8 hexagonal bipyramids that share edges with two equivalent Dy(1)O8 hexagonal bipyramids, edges with four equivalent Dy(2)O8 hexagonal bipyramids, edges with two equivalent Ti(2)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to two equivalent O(2), two equivalent O(5), and four equivalent O(3) atoms to form distorted DyO8 hexagonal bipyramids that share edges with two equivalent Na(1)O8 hexagonal bipyramids, edges with four equivalent Dy(2)O8 hexagonal bipyramids, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. In the second Dy site, Dy(2) is bonded to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted DyO8 hexagonal bipyramids that share edges with two equivalent Na(1)O8 hexagonal bipyramids, edges with two equivalent Dy(1)O8 hexagonal bipyramids, edges with two equivalent Dy(2)O8 hexagonal bipyramids, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Sb(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(3) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, edges with two equivalent Dy(1)O8 hexagonal bipyramids, and edges with four equivalent Dy(2)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 45-48°. In the second Ti site, Ti(2) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, edges with two equivalent Na(1)O8 hexagonal bipyramids, and edges with four equivalent Dy(2)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 45°. Sb(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, edges with two equivalent Na(1)O8 hexagonal bipyramids, edges with two equivalent Dy(1)O8 hexagonal bipyramids, and edges with two equivalent Dy(2)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 45-49°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Dy(2), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded to one Na(1), one Dy(1), and two equivalent Sb(1) atoms to form distorted ONaDySb2 tetrahedra that share corners with two equivalent O(5)NaDy3 tetrahedra, corners with four equivalent O(2)NaDySb2 tetrahedra, and  an edgeedge with one O(5)NaDy3 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Dy(1), one Dy(2), one Ti(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Dy(2), one Ti(2), and one Sb(1) atom. In the fifth O site, O(5) is bonded to one Na(1), one Dy(1), and two equivalent Dy(2) atoms to form ONaDy3 tetrahedra that share corners with two equivalent O(2)NaDySb2 tetrahedra, corners with four equivalent O(5)NaDy3 tetrahedra, and  an edgeedge with one O(2)NaDySb2 tetrahedra. is represented by the CIF card [CIF]
data_NaDy3Ti2(SbO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.261
_cell_length_b   7.261
_cell_length_c   7.210
_cell_angle_alpha   60.680
_cell_angle_beta   60.680
_cell_angle_gamma   60.883
_symmetry_Int_Tables_number   1
_cell_volume   273.301
_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
  Na  Na0  1  0.000  0.000  0.000  1.0
  Dy  Dy1  1  0.000  0.000  0.500  1.0
  Dy  Dy2  1  0.500  0.000  0.000  1.0
  Dy  Dy3  1  0.000  0.500  0.000  1.0
  Ti  Ti4  1  0.500  0.500  0.500  1.0
  Ti  Ti5  1  0.500  0.500  0.000  1.0
  Sb  Sb6  1  0.000  0.500  0.500  1.0
  Sb  Sb7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.572  0.572  0.180  1.0
  O  O9  1  0.169  0.169  0.573  1.0
  O  O10  1  0.174  0.579  0.579  1.0
  O  O11  1  0.563  0.177  0.175  1.0
  O  O12  1  0.177  0.563  0.175  1.0
  O  O13  1  0.579  0.174  0.579  1.0
  O  O14  1  0.428  0.428  0.820  1.0
  O  O15  1  0.831  0.831  0.427  1.0
  O  O16  1  0.826  0.421  0.421  1.0
  O  O17  1  0.437  0.823  0.825  1.0
  O  O18  1  0.823  0.437  0.825  1.0
  O  O19  1  0.421  0.826  0.421  1.0
  O  O20  1  0.867  0.867  0.869  1.0
  O  O21  1  0.133  0.133  0.131  1.0
[/CIF]
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