The structure described by KNbB2O6 crystallizes in the orthorhombic Pmn2_1 space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. Nb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra are not tilted. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent K(1), one Nb(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1) and two equivalent B(1) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to one K(1), one Nb(1), and one B(1) atom. is represented by the CIF file [CIF]
data_KNb(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.987
_cell_length_b   7.560
_cell_length_c   9.899
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   298.397
_cell_formula_units_Z   2
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  0.573  0.000  0.609  1.0
  K  K1  1  0.427  0.500  0.109  1.0
  Nb  Nb2  1  0.888  0.000  0.003  1.0
  Nb  Nb3  1  0.112  0.500  0.503  1.0
  B  B4  1  0.991  0.665  0.790  1.0
  B  B5  1  0.009  0.835  0.290  1.0
  B  B6  1  0.009  0.165  0.290  1.0
  B  B7  1  0.991  0.335  0.790  1.0
  O  O8  1  0.943  0.818  0.156  1.0
  O  O9  1  0.057  0.682  0.656  1.0
  O  O10  1  0.057  0.318  0.656  1.0
  O  O11  1  0.943  0.182  0.156  1.0
  O  O12  1  0.028  0.000  0.356  1.0
  O  O13  1  0.972  0.500  0.856  1.0
  O  O14  1  0.431  0.000  0.003  1.0
  O  O15  1  0.569  0.500  0.503  1.0
  O  O16  1  0.934  0.811  0.866  1.0
  O  O17  1  0.066  0.689  0.366  1.0
  O  O18  1  0.066  0.311  0.366  1.0
  O  O19  1  0.934  0.189  0.866  1.0
[/CIF]
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The structure described by KNbB2O6 crystallizes in the orthorhombic Pmn2_1 space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. Nb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra are not tilted. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent K(1), one Nb(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1) and two equivalent B(1) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to one K(1), one Nb(1), and one B(1) atom. is represented by the CIF file [CIF]
data_KNb(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.987
_cell_length_b   7.560
_cell_length_c   9.899
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   298.397
_cell_formula_units_Z   2
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  0.573  0.000  0.609  1.0
  K  K1  1  0.427  0.500  0.109  1.0
  Nb  Nb2  1  0.888  0.000  0.003  1.0
  Nb  Nb3  1  0.112  0.500  0.503  1.0
  B  B4  1  0.991  0.665  0.790  1.0
  B  B5  1  0.009  0.835  0.290  1.0
  B  B6  1  0.009  0.165  0.290  1.0
  B  B7  1  0.991  0.335  0.790  1.0
  O  O8  1  0.943  0.818  0.156  1.0
  O  O9  1  0.057  0.682  0.656  1.0
  O  O10  1  0.057  0.318  0.656  1.0
  O  O11  1  0.943  0.182  0.156  1.0
  O  O12  1  0.028  0.000  0.356  1.0
  O  O13  1  0.972  0.500  0.856  1.0
  O  O14  1  0.431  0.000  0.003  1.0
  O  O15  1  0.569  0.500  0.503  1.0
  O  O16  1  0.934  0.811  0.866  1.0
  O  O17  1  0.066  0.689  0.366  1.0
  O  O18  1  0.066  0.311  0.366  1.0
  O  O19  1  0.934  0.189  0.866  1.0
[/CIF]
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