The material structure described by KB(CO2)4 crystallizes in the orthorhombic Cmcm space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. B(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(4) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(3) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one B(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1) and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one K(1), one B(1), and one C(2) atom. is represented by the CIF card [CIF]
data_KB(CO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.008
_cell_length_b   7.008
_cell_length_c   8.422
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   105.089
_symmetry_Int_Tables_number   1
_cell_volume   399.385
_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  0.928  0.072  0.750  1.0
  K  K1  1  0.072  0.928  0.250  1.0
  B  B2  1  0.572  0.428  0.250  1.0
  B  B3  1  0.428  0.572  0.750  1.0
  C  C4  1  0.767  0.233  0.158  1.0
  C  C5  1  0.714  0.467  0.750  1.0
  C  C6  1  0.286  0.533  0.250  1.0
  C  C7  1  0.533  0.286  0.750  1.0
  C  C8  1  0.233  0.767  0.658  1.0
  C  C9  1  0.467  0.714  0.250  1.0
  C  C10  1  0.767  0.233  0.342  1.0
  C  C11  1  0.233  0.767  0.842  1.0
  O  O12  1  0.652  0.348  0.110  1.0
  O  O13  1  0.855  0.145  0.073  1.0
  O  O14  1  0.145  0.855  0.927  1.0
  O  O15  1  0.348  0.652  0.890  1.0
  O  O16  1  0.886  0.460  0.750  1.0
  O  O17  1  0.630  0.648  0.250  1.0
  O  O18  1  0.348  0.652  0.610  1.0
  O  O19  1  0.460  0.886  0.250  1.0
  O  O20  1  0.145  0.855  0.573  1.0
  O  O21  1  0.370  0.352  0.750  1.0
  O  O22  1  0.114  0.540  0.250  1.0
  O  O23  1  0.540  0.114  0.750  1.0
  O  O24  1  0.648  0.630  0.750  1.0
  O  O25  1  0.352  0.370  0.250  1.0
  O  O26  1  0.855  0.145  0.427  1.0
  O  O27  1  0.652  0.348  0.390  1.0
[/CIF]
.
The material structure described by KB(CO2)4 crystallizes in the orthorhombic Cmcm space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. B(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(4) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(3) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one B(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1) and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one K(1), one B(1), and one C(2) atom. is represented by the CIF card [CIF]
data_KB(CO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.008
_cell_length_b   7.008
_cell_length_c   8.422
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   105.089
_symmetry_Int_Tables_number   1
_cell_volume   399.385
_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  0.928  0.072  0.750  1.0
  K  K1  1  0.072  0.928  0.250  1.0
  B  B2  1  0.572  0.428  0.250  1.0
  B  B3  1  0.428  0.572  0.750  1.0
  C  C4  1  0.767  0.233  0.158  1.0
  C  C5  1  0.714  0.467  0.750  1.0
  C  C6  1  0.286  0.533  0.250  1.0
  C  C7  1  0.533  0.286  0.750  1.0
  C  C8  1  0.233  0.767  0.658  1.0
  C  C9  1  0.467  0.714  0.250  1.0
  C  C10  1  0.767  0.233  0.342  1.0
  C  C11  1  0.233  0.767  0.842  1.0
  O  O12  1  0.652  0.348  0.110  1.0
  O  O13  1  0.855  0.145  0.073  1.0
  O  O14  1  0.145  0.855  0.927  1.0
  O  O15  1  0.348  0.652  0.890  1.0
  O  O16  1  0.886  0.460  0.750  1.0
  O  O17  1  0.630  0.648  0.250  1.0
  O  O18  1  0.348  0.652  0.610  1.0
  O  O19  1  0.460  0.886  0.250  1.0
  O  O20  1  0.145  0.855  0.573  1.0
  O  O21  1  0.370  0.352  0.750  1.0
  O  O22  1  0.114  0.540  0.250  1.0
  O  O23  1  0.540  0.114  0.750  1.0
  O  O24  1  0.648  0.630  0.750  1.0
  O  O25  1  0.352  0.370  0.250  1.0
  O  O26  1  0.855  0.145  0.427  1.0
  O  O27  1  0.652  0.348  0.390  1.0
[/CIF]
.