The material structure described by K2Nd2Ti3O10 crystallizes in the orthorhombic Fmm2 space group. K(1) is bonded in a 9-coordinate geometry to four equivalent O(3) and five equivalent O(2) atoms. Nd(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(3), and four equivalent O(4) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), and four equivalent O(3) atoms. In the second Ti site, Ti(2) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 10°. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 2-coordinate geometry to two equivalent K(1), two equivalent Nd(1), and two equivalent Ti(1) atoms. In the second O site, O(4) is bonded in a distorted linear geometry to four equivalent Nd(1) and two equivalent Ti(2) atoms. In the third O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Nd(1), one Ti(1), and one Ti(2) atom. In the fourth O site, O(2) 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_K2Nd2Ti3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.198
_cell_length_b   15.195
_cell_length_c   3.904
_cell_angle_alpha   82.668
_cell_angle_beta   82.570
_cell_angle_gamma   14.761
_symmetry_Int_Tables_number   1
_cell_volume   227.794
_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
  K  K0  1  0.707  0.709  0.291  1.0
  K  K1  1  0.291  0.293  0.707  1.0
  Nd  Nd2  1  0.552  0.591  0.409  1.0
  Nd  Nd3  1  0.409  0.448  0.552  1.0
  Ti  Ti4  1  0.137  0.142  0.858  1.0
  Ti  Ti5  1  0.858  0.863  0.137  1.0
  Ti  Ti6  1  0.011  0.989  0.011  1.0
  O  O7  1  0.091  0.038  0.962  1.0
  O  O8  1  0.962  0.909  0.091  1.0
  O  O9  1  0.198  0.198  0.802  1.0
  O  O10  1  0.802  0.802  0.198  1.0
  O  O11  1  0.126  0.125  0.378  1.0
  O  O12  1  0.630  0.622  0.875  1.0
  O  O13  1  0.875  0.874  0.630  1.0
  O  O14  1  0.378  0.370  0.126  1.0
  O  O15  1  0.530  0.470  0.055  1.0
  O  O16  1  0.055  0.945  0.530  1.0
[/CIF]
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The material structure described by K2Nd2Ti3O10 crystallizes in the orthorhombic Fmm2 space group. K(1) is bonded in a 9-coordinate geometry to four equivalent O(3) and five equivalent O(2) atoms. Nd(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(3), and four equivalent O(4) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), and four equivalent O(3) atoms. In the second Ti site, Ti(2) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 10°. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 2-coordinate geometry to two equivalent K(1), two equivalent Nd(1), and two equivalent Ti(1) atoms. In the second O site, O(4) is bonded in a distorted linear geometry to four equivalent Nd(1) and two equivalent Ti(2) atoms. In the third O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Nd(1), one Ti(1), and one Ti(2) atom. In the fourth O site, O(2) 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_K2Nd2Ti3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.198
_cell_length_b   15.195
_cell_length_c   3.904
_cell_angle_alpha   82.668
_cell_angle_beta   82.570
_cell_angle_gamma   14.761
_symmetry_Int_Tables_number   1
_cell_volume   227.794
_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
  K  K0  1  0.707  0.709  0.291  1.0
  K  K1  1  0.291  0.293  0.707  1.0
  Nd  Nd2  1  0.552  0.591  0.409  1.0
  Nd  Nd3  1  0.409  0.448  0.552  1.0
  Ti  Ti4  1  0.137  0.142  0.858  1.0
  Ti  Ti5  1  0.858  0.863  0.137  1.0
  Ti  Ti6  1  0.011  0.989  0.011  1.0
  O  O7  1  0.091  0.038  0.962  1.0
  O  O8  1  0.962  0.909  0.091  1.0
  O  O9  1  0.198  0.198  0.802  1.0
  O  O10  1  0.802  0.802  0.198  1.0
  O  O11  1  0.126  0.125  0.378  1.0
  O  O12  1  0.630  0.622  0.875  1.0
  O  O13  1  0.875  0.874  0.630  1.0
  O  O14  1  0.378  0.370  0.126  1.0
  O  O15  1  0.530  0.470  0.055  1.0
  O  O16  1  0.055  0.945  0.530  1.0
[/CIF]
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