The structure described by KTiNbO5 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(5), and four equivalent O(2) atoms. Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(5), and three equivalent O(3) atoms. Nb(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one Ti(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Nb(1) atom. In the third O site, O(3) is bonded to three equivalent Ti(1) and one Nb(1) atom to form a mixture of distorted corner and edge-sharing OTi3Nb trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1) and two equivalent Nb(1) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent K(1), one Ti(1), and one Nb(1) atom. is represented by the CIF file [CIF]
data_KTiNbO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.822
_cell_length_b   6.543
_cell_length_c   18.738
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   468.630
_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  0.788  0.194  1.0
  K  K1  1  0.250  0.288  0.306  1.0
  K  K2  1  0.750  0.212  0.806  1.0
  K  K3  1  0.750  0.712  0.694  1.0
  Ti  Ti4  1  0.250  0.317  0.965  1.0
  Ti  Ti5  1  0.250  0.817  0.535  1.0
  Ti  Ti6  1  0.750  0.683  0.035  1.0
  Ti  Ti7  1  0.750  0.183  0.465  1.0
  Nb  Nb8  1  0.250  0.771  0.890  1.0
  Nb  Nb9  1  0.250  0.271  0.610  1.0
  Nb  Nb10  1  0.750  0.229  0.110  1.0
  Nb  Nb11  1  0.750  0.729  0.390  1.0
  O  O12  1  0.250  0.467  0.880  1.0
  O  O13  1  0.250  0.967  0.620  1.0
  O  O14  1  0.750  0.533  0.120  1.0
  O  O15  1  0.750  0.033  0.380  1.0
  O  O16  1  0.250  0.833  0.796  1.0
  O  O17  1  0.250  0.333  0.704  1.0
  O  O18  1  0.750  0.167  0.204  1.0
  O  O19  1  0.750  0.667  0.296  1.0
  O  O20  1  0.250  0.646  0.010  1.0
  O  O21  1  0.250  0.146  0.490  1.0
  O  O22  1  0.750  0.354  0.990  1.0
  O  O23  1  0.750  0.854  0.510  1.0
  O  O24  1  0.250  0.234  0.078  1.0
  O  O25  1  0.250  0.734  0.422  1.0
  O  O26  1  0.750  0.766  0.922  1.0
  O  O27  1  0.750  0.266  0.578  1.0
  O  O28  1  0.250  0.070  0.924  1.0
  O  O29  1  0.250  0.570  0.576  1.0
  O  O30  1  0.750  0.930  0.076  1.0
  O  O31  1  0.750  0.430  0.424  1.0
[/CIF]
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The structure described by KTiNbO5 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(5), and four equivalent O(2) atoms. Ti(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(5), and three equivalent O(3) atoms. Nb(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one Ti(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Nb(1) atom. In the third O site, O(3) is bonded to three equivalent Ti(1) and one Nb(1) atom to form a mixture of distorted corner and edge-sharing OTi3Nb trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1) and two equivalent Nb(1) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent K(1), one Ti(1), and one Nb(1) atom. is represented by the CIF file [CIF]
data_KTiNbO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.822
_cell_length_b   6.543
_cell_length_c   18.738
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   468.630
_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  0.788  0.194  1.0
  K  K1  1  0.250  0.288  0.306  1.0
  K  K2  1  0.750  0.212  0.806  1.0
  K  K3  1  0.750  0.712  0.694  1.0
  Ti  Ti4  1  0.250  0.317  0.965  1.0
  Ti  Ti5  1  0.250  0.817  0.535  1.0
  Ti  Ti6  1  0.750  0.683  0.035  1.0
  Ti  Ti7  1  0.750  0.183  0.465  1.0
  Nb  Nb8  1  0.250  0.771  0.890  1.0
  Nb  Nb9  1  0.250  0.271  0.610  1.0
  Nb  Nb10  1  0.750  0.229  0.110  1.0
  Nb  Nb11  1  0.750  0.729  0.390  1.0
  O  O12  1  0.250  0.467  0.880  1.0
  O  O13  1  0.250  0.967  0.620  1.0
  O  O14  1  0.750  0.533  0.120  1.0
  O  O15  1  0.750  0.033  0.380  1.0
  O  O16  1  0.250  0.833  0.796  1.0
  O  O17  1  0.250  0.333  0.704  1.0
  O  O18  1  0.750  0.167  0.204  1.0
  O  O19  1  0.750  0.667  0.296  1.0
  O  O20  1  0.250  0.646  0.010  1.0
  O  O21  1  0.250  0.146  0.490  1.0
  O  O22  1  0.750  0.354  0.990  1.0
  O  O23  1  0.750  0.854  0.510  1.0
  O  O24  1  0.250  0.234  0.078  1.0
  O  O25  1  0.250  0.734  0.422  1.0
  O  O26  1  0.750  0.766  0.922  1.0
  O  O27  1  0.750  0.266  0.578  1.0
  O  O28  1  0.250  0.070  0.924  1.0
  O  O29  1  0.250  0.570  0.576  1.0
  O  O30  1  0.750  0.930  0.076  1.0
  O  O31  1  0.750  0.430  0.424  1.0
[/CIF]
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