The material described by NaGdTiO4 crystallizes in the orthorhombic Pbcm space group. Na(1) is bonded in a 7-coordinate geometry to two equivalent O(2) and five equivalent O(4) atoms. Gd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Gd(1) and two equivalent Ti(1) atoms to form distorted edge-sharing OGd2Ti2 tetrahedra. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Na(1), two equivalent Gd(1), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to four equivalent Gd(1) and one Ti(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to five equivalent Na(1) and one Ti(1) atom. is represented by the CIF card [CIF]
data_NaGdTiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.311
_cell_length_b   5.423
_cell_length_c   12.654
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   364.478
_cell_formula_units_Z   4
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  0.750  0.992  0.586  1.0
  Na  Na1  1  0.750  0.492  0.414  1.0
  Na  Na2  1  0.250  0.008  0.414  1.0
  Na  Na3  1  0.250  0.508  0.586  1.0
  Gd  Gd4  1  0.750  0.977  0.893  1.0
  Gd  Gd5  1  0.750  0.477  0.107  1.0
  Gd  Gd6  1  0.250  0.023  0.107  1.0
  Gd  Gd7  1  0.250  0.523  0.893  1.0
  Ti  Ti8  1  0.750  0.992  0.265  1.0
  Ti  Ti9  1  0.750  0.492  0.735  1.0
  Ti  Ti10  1  0.250  0.008  0.735  1.0
  Ti  Ti11  1  0.250  0.508  0.265  1.0
  O  O12  1  0.000  0.750  0.215  1.0
  O  O13  1  0.500  0.250  0.785  1.0
  O  O14  1  0.000  0.250  0.785  1.0
  O  O15  1  0.500  0.750  0.215  1.0
  O  O16  1  0.000  0.750  0.756  1.0
  O  O17  1  0.500  0.250  0.244  1.0
  O  O18  1  0.000  0.250  0.244  1.0
  O  O19  1  0.500  0.750  0.756  1.0
  O  O20  1  0.750  0.065  0.065  1.0
  O  O21  1  0.750  0.565  0.935  1.0
  O  O22  1  0.250  0.935  0.935  1.0
  O  O23  1  0.250  0.435  0.065  1.0
  O  O24  1  0.750  0.958  0.403  1.0
  O  O25  1  0.750  0.458  0.597  1.0
  O  O26  1  0.250  0.042  0.597  1.0
  O  O27  1  0.250  0.542  0.403  1.0
[/CIF]
.
The material described by NaGdTiO4 crystallizes in the orthorhombic Pbcm space group. Na(1) is bonded in a 7-coordinate geometry to two equivalent O(2) and five equivalent O(4) atoms. Gd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Gd(1) and two equivalent Ti(1) atoms to form distorted edge-sharing OGd2Ti2 tetrahedra. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Na(1), two equivalent Gd(1), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to four equivalent Gd(1) and one Ti(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to five equivalent Na(1) and one Ti(1) atom. is represented by the CIF card [CIF]
data_NaGdTiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.311
_cell_length_b   5.423
_cell_length_c   12.654
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   364.478
_cell_formula_units_Z   4
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  0.750  0.992  0.586  1.0
  Na  Na1  1  0.750  0.492  0.414  1.0
  Na  Na2  1  0.250  0.008  0.414  1.0
  Na  Na3  1  0.250  0.508  0.586  1.0
  Gd  Gd4  1  0.750  0.977  0.893  1.0
  Gd  Gd5  1  0.750  0.477  0.107  1.0
  Gd  Gd6  1  0.250  0.023  0.107  1.0
  Gd  Gd7  1  0.250  0.523  0.893  1.0
  Ti  Ti8  1  0.750  0.992  0.265  1.0
  Ti  Ti9  1  0.750  0.492  0.735  1.0
  Ti  Ti10  1  0.250  0.008  0.735  1.0
  Ti  Ti11  1  0.250  0.508  0.265  1.0
  O  O12  1  0.000  0.750  0.215  1.0
  O  O13  1  0.500  0.250  0.785  1.0
  O  O14  1  0.000  0.250  0.785  1.0
  O  O15  1  0.500  0.750  0.215  1.0
  O  O16  1  0.000  0.750  0.756  1.0
  O  O17  1  0.500  0.250  0.244  1.0
  O  O18  1  0.000  0.250  0.244  1.0
  O  O19  1  0.500  0.750  0.756  1.0
  O  O20  1  0.750  0.065  0.065  1.0
  O  O21  1  0.750  0.565  0.935  1.0
  O  O22  1  0.250  0.935  0.935  1.0
  O  O23  1  0.250  0.435  0.065  1.0
  O  O24  1  0.750  0.958  0.403  1.0
  O  O25  1  0.750  0.458  0.597  1.0
  O  O26  1  0.250  0.042  0.597  1.0
  O  O27  1  0.250  0.542  0.403  1.0
[/CIF]
.