The crystal structure described by KLi2BO3 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(1) atoms. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), two equivalent Li(1), and one B(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one K(1), four equivalent Li(1), and one B(1) atom. is represented by the CIF card [CIF]
data_KLi2BO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.507
_cell_length_b   6.522
_cell_length_c   8.087
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   343.240
_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  0.750  0.394  0.990  1.0
  K  K1  1  0.750  0.106  0.490  1.0
  K  K2  1  0.250  0.894  0.510  1.0
  K  K3  1  0.250  0.606  0.010  1.0
  Li  Li4  1  0.541  0.962  0.860  1.0
  Li  Li5  1  0.459  0.038  0.140  1.0
  Li  Li6  1  0.041  0.462  0.640  1.0
  Li  Li7  1  0.959  0.962  0.860  1.0
  Li  Li8  1  0.959  0.538  0.360  1.0
  Li  Li9  1  0.459  0.462  0.640  1.0
  Li  Li10  1  0.041  0.038  0.140  1.0
  Li  Li11  1  0.541  0.538  0.360  1.0
  B  B12  1  0.250  0.168  0.845  1.0
  B  B13  1  0.750  0.832  0.155  1.0
  B  B14  1  0.250  0.332  0.345  1.0
  B  B15  1  0.750  0.668  0.655  1.0
  O  O16  1  0.438  0.238  0.788  1.0
  O  O17  1  0.438  0.262  0.288  1.0
  O  O18  1  0.938  0.738  0.712  1.0
  O  O19  1  0.750  0.507  0.538  1.0
  O  O20  1  0.250  0.493  0.462  1.0
  O  O21  1  0.062  0.238  0.788  1.0
  O  O22  1  0.938  0.762  0.212  1.0
  O  O23  1  0.562  0.762  0.212  1.0
  O  O24  1  0.750  0.993  0.038  1.0
  O  O25  1  0.062  0.262  0.288  1.0
  O  O26  1  0.250  0.007  0.962  1.0
  O  O27  1  0.562  0.738  0.712  1.0
[/CIF]
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The crystal structure described by KLi2BO3 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(1) atoms. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), two equivalent Li(1), and one B(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one K(1), four equivalent Li(1), and one B(1) atom. is represented by the CIF card [CIF]
data_KLi2BO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.507
_cell_length_b   6.522
_cell_length_c   8.087
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   343.240
_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  0.750  0.394  0.990  1.0
  K  K1  1  0.750  0.106  0.490  1.0
  K  K2  1  0.250  0.894  0.510  1.0
  K  K3  1  0.250  0.606  0.010  1.0
  Li  Li4  1  0.541  0.962  0.860  1.0
  Li  Li5  1  0.459  0.038  0.140  1.0
  Li  Li6  1  0.041  0.462  0.640  1.0
  Li  Li7  1  0.959  0.962  0.860  1.0
  Li  Li8  1  0.959  0.538  0.360  1.0
  Li  Li9  1  0.459  0.462  0.640  1.0
  Li  Li10  1  0.041  0.038  0.140  1.0
  Li  Li11  1  0.541  0.538  0.360  1.0
  B  B12  1  0.250  0.168  0.845  1.0
  B  B13  1  0.750  0.832  0.155  1.0
  B  B14  1  0.250  0.332  0.345  1.0
  B  B15  1  0.750  0.668  0.655  1.0
  O  O16  1  0.438  0.238  0.788  1.0
  O  O17  1  0.438  0.262  0.288  1.0
  O  O18  1  0.938  0.738  0.712  1.0
  O  O19  1  0.750  0.507  0.538  1.0
  O  O20  1  0.250  0.493  0.462  1.0
  O  O21  1  0.062  0.238  0.788  1.0
  O  O22  1  0.938  0.762  0.212  1.0
  O  O23  1  0.562  0.762  0.212  1.0
  O  O24  1  0.750  0.993  0.038  1.0
  O  O25  1  0.062  0.262  0.288  1.0
  O  O26  1  0.250  0.007  0.962  1.0
  O  O27  1  0.562  0.738  0.712  1.0
[/CIF]
.