The crystal structure described by NaGd3Ti2(SbO7)2 crystallizes in the monoclinic C2/m space group. Na(1) is bonded to two equivalent O(1), two equivalent O(3), and four equivalent O(5) atoms to form distorted NaO8 hexagonal bipyramids that share edges with two equivalent Gd(1)O8 hexagonal bipyramids, edges with four equivalent Gd(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 Gd sites. In the first Gd site, Gd(1) is bonded to two equivalent O(1), two equivalent O(3), and four equivalent O(4) atoms to form distorted GdO8 hexagonal bipyramids that share edges with two equivalent Na(1)O8 hexagonal bipyramids, edges with four equivalent Gd(2)O8 hexagonal bipyramids, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. In the second Gd site, Gd(2) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form distorted GdO8 hexagonal bipyramids that share edges with two equivalent Na(1)O8 hexagonal bipyramids, edges with two equivalent Gd(1)O8 hexagonal bipyramids, edges with two equivalent Gd(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(2) and four equivalent O(4) 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 Gd(1)O8 hexagonal bipyramids, and edges with four equivalent Gd(2)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 44-47°. In the second Ti site, Ti(2) is bonded to two equivalent O(2) and four equivalent O(5) 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 Gd(2)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 44°. Sb(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) 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 Gd(1)O8 hexagonal bipyramids, and edges with two equivalent Gd(2)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 44-48°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Gd(1), and two equivalent Gd(2) atoms to form ONaGd3 tetrahedra that share corners with two equivalent O(3)NaGdSb2 tetrahedra, corners with four equivalent O(1)NaGd3 tetrahedra, and  an edgeedge with one O(3)NaGdSb2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Gd(2), one Ti(1), and one Ti(2) atom. In the third O site, O(3) is bonded to one Na(1), one Gd(1), and two equivalent Sb(1) atoms to form distorted ONaGdSb2 tetrahedra that share corners with two equivalent O(1)NaGd3 tetrahedra, corners with four equivalent O(3)NaGdSb2 tetrahedra, and  an edgeedge with one O(1)NaGd3 tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Gd(1), one Gd(2), one Ti(1), and one Sb(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(1), one Gd(2), one Ti(2), and one Sb(1) atom. is represented by the CIF card [CIF]
data_NaGd3Ti2(SbO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.317
_cell_length_b   7.317
_cell_length_c   7.277
_cell_angle_alpha   60.689
_cell_angle_beta   60.689
_cell_angle_gamma   60.895
_symmetry_Int_Tables_number   1
_cell_volume   280.193
_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
  Gd  Gd1  1  0.000  0.000  0.500  1.0
  Gd  Gd2  1  0.500  0.000  0.000  1.0
  Gd  Gd3  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  0.868  0.868  0.871  1.0
  O  O9  1  0.132  0.132  0.129  1.0
  O  O10  1  0.571  0.571  0.182  1.0
  O  O11  1  0.171  0.171  0.572  1.0
  O  O12  1  0.176  0.577  0.577  1.0
  O  O13  1  0.563  0.179  0.177  1.0
  O  O14  1  0.179  0.563  0.177  1.0
  O  O15  1  0.577  0.176  0.577  1.0
  O  O16  1  0.429  0.429  0.818  1.0
  O  O17  1  0.829  0.829  0.428  1.0
  O  O18  1  0.824  0.423  0.423  1.0
  O  O19  1  0.437  0.821  0.823  1.0
  O  O20  1  0.821  0.437  0.823  1.0
  O  O21  1  0.423  0.824  0.423  1.0
[/CIF]
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The crystal structure described by NaGd3Ti2(SbO7)2 crystallizes in the monoclinic C2/m space group. Na(1) is bonded to two equivalent O(1), two equivalent O(3), and four equivalent O(5) atoms to form distorted NaO8 hexagonal bipyramids that share edges with two equivalent Gd(1)O8 hexagonal bipyramids, edges with four equivalent Gd(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 Gd sites. In the first Gd site, Gd(1) is bonded to two equivalent O(1), two equivalent O(3), and four equivalent O(4) atoms to form distorted GdO8 hexagonal bipyramids that share edges with two equivalent Na(1)O8 hexagonal bipyramids, edges with four equivalent Gd(2)O8 hexagonal bipyramids, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. In the second Gd site, Gd(2) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form distorted GdO8 hexagonal bipyramids that share edges with two equivalent Na(1)O8 hexagonal bipyramids, edges with two equivalent Gd(1)O8 hexagonal bipyramids, edges with two equivalent Gd(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(2) and four equivalent O(4) 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 Gd(1)O8 hexagonal bipyramids, and edges with four equivalent Gd(2)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 44-47°. In the second Ti site, Ti(2) is bonded to two equivalent O(2) and four equivalent O(5) 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 Gd(2)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 44°. Sb(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) 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 Gd(1)O8 hexagonal bipyramids, and edges with two equivalent Gd(2)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 44-48°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Gd(1), and two equivalent Gd(2) atoms to form ONaGd3 tetrahedra that share corners with two equivalent O(3)NaGdSb2 tetrahedra, corners with four equivalent O(1)NaGd3 tetrahedra, and  an edgeedge with one O(3)NaGdSb2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Gd(2), one Ti(1), and one Ti(2) atom. In the third O site, O(3) is bonded to one Na(1), one Gd(1), and two equivalent Sb(1) atoms to form distorted ONaGdSb2 tetrahedra that share corners with two equivalent O(1)NaGd3 tetrahedra, corners with four equivalent O(3)NaGdSb2 tetrahedra, and  an edgeedge with one O(1)NaGd3 tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Gd(1), one Gd(2), one Ti(1), and one Sb(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(1), one Gd(2), one Ti(2), and one Sb(1) atom. is represented by the CIF card [CIF]
data_NaGd3Ti2(SbO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.317
_cell_length_b   7.317
_cell_length_c   7.277
_cell_angle_alpha   60.689
_cell_angle_beta   60.689
_cell_angle_gamma   60.895
_symmetry_Int_Tables_number   1
_cell_volume   280.193
_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
  Gd  Gd1  1  0.000  0.000  0.500  1.0
  Gd  Gd2  1  0.500  0.000  0.000  1.0
  Gd  Gd3  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  0.868  0.868  0.871  1.0
  O  O9  1  0.132  0.132  0.129  1.0
  O  O10  1  0.571  0.571  0.182  1.0
  O  O11  1  0.171  0.171  0.572  1.0
  O  O12  1  0.176  0.577  0.577  1.0
  O  O13  1  0.563  0.179  0.177  1.0
  O  O14  1  0.179  0.563  0.177  1.0
  O  O15  1  0.577  0.176  0.577  1.0
  O  O16  1  0.429  0.429  0.818  1.0
  O  O17  1  0.829  0.829  0.428  1.0
  O  O18  1  0.824  0.423  0.423  1.0
  O  O19  1  0.437  0.821  0.823  1.0
  O  O20  1  0.821  0.437  0.823  1.0
  O  O21  1  0.423  0.824  0.423  1.0
[/CIF]
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