The material structure described by Na2Gd2Ti3O10 crystallizes in the tetragonal I4/mmm space group. Na(1) is bonded to five equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing NaO5 square pyramids. Gd(1) is bonded to four equivalent O(1), four equivalent O(3), and four equivalent O(4) atoms to form distorted GdO12 cuboctahedra that share corners with eight equivalent Gd(1)O12 cuboctahedra, faces with five equivalent Gd(1)O12 cuboctahedra, and faces with four equivalent Ti(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), and four equivalent O(1) atoms. In the second Ti site, Ti(2) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form TiO6 octahedra that share corners with four equivalent Ti(2)O6 octahedra and faces with eight equivalent Gd(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Gd(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to five equivalent Na(1) and one Ti(1) atom to form distorted ONa5Ti octahedra that share  a cornercorner with one O(4)Gd4Ti2 octahedra, corners with four equivalent O(2)Na5Ti octahedra, and edges with eight equivalent O(2)Na5Ti octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third O site, O(3) is bonded in a linear geometry to four equivalent Gd(1) and two equivalent Ti(2) atoms. In the fourth O site, O(4) is bonded to four equivalent Gd(1), one Ti(1), and one Ti(2) atom to form distorted OGd4Ti2 octahedra that share  a cornercorner with one O(2)Na5Ti octahedra, corners with five equivalent O(4)Gd4Ti2 octahedra, and edges with four equivalent O(4)Gd4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the CIF file [CIF]
data_Na2Gd2Ti3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.562
_cell_length_b   14.562
_cell_length_c   14.562
_cell_angle_alpha   164.880
_cell_angle_beta   164.880
_cell_angle_gamma   21.446
_symmetry_Int_Tables_number   1
_cell_volume   210.047
_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  0.712  0.712  0.000  1.0
  Na  Na1  1  0.288  0.288  0.000  1.0
  Gd  Gd2  1  0.576  0.576  0.000  1.0
  Gd  Gd3  1  0.424  0.424  0.000  1.0
  Ti  Ti4  1  0.854  0.854  0.000  1.0
  Ti  Ti5  1  0.146  0.146  0.000  1.0
  Ti  Ti6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.369  0.869  0.500  1.0
  O  O8  1  0.869  0.369  0.500  1.0
  O  O9  1  0.631  0.131  0.500  1.0
  O  O10  1  0.131  0.631  0.500  1.0
  O  O11  1  0.792  0.792  0.000  1.0
  O  O12  1  0.208  0.208  0.000  1.0
  O  O13  1  0.500  0.000  0.500  1.0
  O  O14  1  0.068  0.068  0.000  1.0
  O  O15  1  0.932  0.932  0.000  1.0
  O  O16  1  0.000  0.500  0.500  1.0
[/CIF]
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The material structure described by Na2Gd2Ti3O10 crystallizes in the tetragonal I4/mmm space group. Na(1) is bonded to five equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing NaO5 square pyramids. Gd(1) is bonded to four equivalent O(1), four equivalent O(3), and four equivalent O(4) atoms to form distorted GdO12 cuboctahedra that share corners with eight equivalent Gd(1)O12 cuboctahedra, faces with five equivalent Gd(1)O12 cuboctahedra, and faces with four equivalent Ti(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), and four equivalent O(1) atoms. In the second Ti site, Ti(2) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form TiO6 octahedra that share corners with four equivalent Ti(2)O6 octahedra and faces with eight equivalent Gd(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Gd(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to five equivalent Na(1) and one Ti(1) atom to form distorted ONa5Ti octahedra that share  a cornercorner with one O(4)Gd4Ti2 octahedra, corners with four equivalent O(2)Na5Ti octahedra, and edges with eight equivalent O(2)Na5Ti octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third O site, O(3) is bonded in a linear geometry to four equivalent Gd(1) and two equivalent Ti(2) atoms. In the fourth O site, O(4) is bonded to four equivalent Gd(1), one Ti(1), and one Ti(2) atom to form distorted OGd4Ti2 octahedra that share  a cornercorner with one O(2)Na5Ti octahedra, corners with five equivalent O(4)Gd4Ti2 octahedra, and edges with four equivalent O(4)Gd4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the CIF file [CIF]
data_Na2Gd2Ti3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.562
_cell_length_b   14.562
_cell_length_c   14.562
_cell_angle_alpha   164.880
_cell_angle_beta   164.880
_cell_angle_gamma   21.446
_symmetry_Int_Tables_number   1
_cell_volume   210.047
_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  0.712  0.712  0.000  1.0
  Na  Na1  1  0.288  0.288  0.000  1.0
  Gd  Gd2  1  0.576  0.576  0.000  1.0
  Gd  Gd3  1  0.424  0.424  0.000  1.0
  Ti  Ti4  1  0.854  0.854  0.000  1.0
  Ti  Ti5  1  0.146  0.146  0.000  1.0
  Ti  Ti6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.369  0.869  0.500  1.0
  O  O8  1  0.869  0.369  0.500  1.0
  O  O9  1  0.631  0.131  0.500  1.0
  O  O10  1  0.131  0.631  0.500  1.0
  O  O11  1  0.792  0.792  0.000  1.0
  O  O12  1  0.208  0.208  0.000  1.0
  O  O13  1  0.500  0.000  0.500  1.0
  O  O14  1  0.068  0.068  0.000  1.0
  O  O15  1  0.932  0.932  0.000  1.0
  O  O16  1  0.000  0.500  0.500  1.0
[/CIF]
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