The material structure described by KGdTiO4 crystallizes in the orthorhombic Pbcm space group. K(1) is bonded in a 7-coordinate geometry to two equivalent O(3) and five equivalent O(4) atoms. Gd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Ti(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. 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 in a 5-coordinate geometry to four equivalent Gd(1) and one Ti(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent Gd(1), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to five equivalent K(1) and one Ti(1) atom. is represented by the CIF card [CIF]
data_KGdTiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.411
_cell_length_b   5.525
_cell_length_c   13.171
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   393.777
_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
  K  K0  1  0.250  0.479  0.596  1.0
  K  K1  1  0.750  0.521  0.404  1.0
  K  K2  1  0.250  0.979  0.404  1.0
  K  K3  1  0.750  0.021  0.596  1.0
  Gd  Gd4  1  0.250  0.974  0.101  1.0
  Gd  Gd5  1  0.750  0.026  0.899  1.0
  Gd  Gd6  1  0.250  0.474  0.899  1.0
  Gd  Gd7  1  0.750  0.526  0.101  1.0
  Ti  Ti8  1  0.250  0.492  0.246  1.0
  Ti  Ti9  1  0.750  0.508  0.754  1.0
  Ti  Ti10  1  0.250  0.992  0.754  1.0
  Ti  Ti11  1  0.750  0.008  0.246  1.0
  O  O12  1  0.000  0.750  0.798  1.0
  O  O13  1  0.000  0.250  0.202  1.0
  O  O14  1  0.500  0.250  0.202  1.0
  O  O15  1  0.500  0.750  0.798  1.0
  O  O16  1  0.250  0.565  0.063  1.0
  O  O17  1  0.750  0.435  0.937  1.0
  O  O18  1  0.250  0.065  0.937  1.0
  O  O19  1  0.750  0.935  0.063  1.0
  O  O20  1  0.000  0.750  0.228  1.0
  O  O21  1  0.000  0.250  0.772  1.0
  O  O22  1  0.500  0.250  0.772  1.0
  O  O23  1  0.500  0.750  0.228  1.0
  O  O24  1  0.250  0.964  0.620  1.0
  O  O25  1  0.750  0.036  0.380  1.0
  O  O26  1  0.250  0.464  0.380  1.0
  O  O27  1  0.750  0.536  0.620  1.0
[/CIF]
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The material structure described by KGdTiO4 crystallizes in the orthorhombic Pbcm space group. K(1) is bonded in a 7-coordinate geometry to two equivalent O(3) and five equivalent O(4) atoms. Gd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Ti(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. 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 in a 5-coordinate geometry to four equivalent Gd(1) and one Ti(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent K(1), two equivalent Gd(1), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to five equivalent K(1) and one Ti(1) atom. is represented by the CIF card [CIF]
data_KGdTiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.411
_cell_length_b   5.525
_cell_length_c   13.171
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   393.777
_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
  K  K0  1  0.250  0.479  0.596  1.0
  K  K1  1  0.750  0.521  0.404  1.0
  K  K2  1  0.250  0.979  0.404  1.0
  K  K3  1  0.750  0.021  0.596  1.0
  Gd  Gd4  1  0.250  0.974  0.101  1.0
  Gd  Gd5  1  0.750  0.026  0.899  1.0
  Gd  Gd6  1  0.250  0.474  0.899  1.0
  Gd  Gd7  1  0.750  0.526  0.101  1.0
  Ti  Ti8  1  0.250  0.492  0.246  1.0
  Ti  Ti9  1  0.750  0.508  0.754  1.0
  Ti  Ti10  1  0.250  0.992  0.754  1.0
  Ti  Ti11  1  0.750  0.008  0.246  1.0
  O  O12  1  0.000  0.750  0.798  1.0
  O  O13  1  0.000  0.250  0.202  1.0
  O  O14  1  0.500  0.250  0.202  1.0
  O  O15  1  0.500  0.750  0.798  1.0
  O  O16  1  0.250  0.565  0.063  1.0
  O  O17  1  0.750  0.435  0.937  1.0
  O  O18  1  0.250  0.065  0.937  1.0
  O  O19  1  0.750  0.935  0.063  1.0
  O  O20  1  0.000  0.750  0.228  1.0
  O  O21  1  0.000  0.250  0.772  1.0
  O  O22  1  0.500  0.250  0.772  1.0
  O  O23  1  0.500  0.750  0.228  1.0
  O  O24  1  0.250  0.964  0.620  1.0
  O  O25  1  0.750  0.036  0.380  1.0
  O  O26  1  0.250  0.464  0.380  1.0
  O  O27  1  0.750  0.536  0.620  1.0
[/CIF]
.