The material structure described by LaKOCO3 crystallizes in the orthorhombic Pcca space group. K(1) is bonded to one C(1) and five equivalent O(1) atoms to form a mixture of corner and edge-sharing KCO5 octahedra. The corner-sharing octahedra are not tilted. La(1) is bonded in a distorted hexagonal planar geometry to two equivalent O(2) and four equivalent O(3) atoms. C(1) is bonded in a distorted bent 120 degrees geometry to one K(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to five equivalent K(1) atoms to form a mixture of corner and edge-sharing OK5 square pyramids. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one La(1) and one C(1) atom. In the third O site, O(3) is bonded to four equivalent La(1) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. is represented by the CIF card [CIF]
data_KLaCO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.928
_cell_length_b   5.959
_cell_length_c   16.665
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   588.728
_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  0.500  0.424  1.0
  K  K1  1  0.250  0.500  0.576  1.0
  K  K2  1  0.750  0.000  0.576  1.0
  K  K3  1  0.250  0.000  0.424  1.0
  La  La4  1  0.250  0.500  0.928  1.0
  La  La5  1  0.750  0.500  0.072  1.0
  La  La6  1  0.750  0.000  0.928  1.0
  La  La7  1  0.250  0.000  0.072  1.0
  C  C8  1  0.750  0.500  0.237  1.0
  C  C9  1  0.250  0.500  0.763  1.0
  C  C10  1  0.250  0.000  0.237  1.0
  C  C11  1  0.750  0.000  0.763  1.0
  O  O12  1  0.250  0.000  0.577  1.0
  O  O13  1  0.750  0.000  0.423  1.0
  O  O14  1  0.390  0.875  0.205  1.0
  O  O15  1  0.610  0.375  0.205  1.0
  O  O16  1  0.390  0.625  0.795  1.0
  O  O17  1  0.110  0.125  0.205  1.0
  O  O18  1  0.510  0.750  0.000  1.0
  O  O19  1  0.010  0.750  0.000  1.0
  O  O20  1  0.610  0.125  0.795  1.0
  O  O21  1  0.890  0.875  0.795  1.0
  O  O22  1  0.250  0.500  0.423  1.0
  O  O23  1  0.990  0.250  0.000  1.0
  O  O24  1  0.750  0.500  0.577  1.0
  O  O25  1  0.110  0.375  0.795  1.0
  O  O26  1  0.490  0.250  0.000  1.0
  O  O27  1  0.890  0.625  0.205  1.0
[/CIF]
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The material structure described by LaKOCO3 crystallizes in the orthorhombic Pcca space group. K(1) is bonded to one C(1) and five equivalent O(1) atoms to form a mixture of corner and edge-sharing KCO5 octahedra. The corner-sharing octahedra are not tilted. La(1) is bonded in a distorted hexagonal planar geometry to two equivalent O(2) and four equivalent O(3) atoms. C(1) is bonded in a distorted bent 120 degrees geometry to one K(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to five equivalent K(1) atoms to form a mixture of corner and edge-sharing OK5 square pyramids. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one La(1) and one C(1) atom. In the third O site, O(3) is bonded to four equivalent La(1) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. is represented by the CIF card [CIF]
data_KLaCO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.928
_cell_length_b   5.959
_cell_length_c   16.665
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   588.728
_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  0.500  0.424  1.0
  K  K1  1  0.250  0.500  0.576  1.0
  K  K2  1  0.750  0.000  0.576  1.0
  K  K3  1  0.250  0.000  0.424  1.0
  La  La4  1  0.250  0.500  0.928  1.0
  La  La5  1  0.750  0.500  0.072  1.0
  La  La6  1  0.750  0.000  0.928  1.0
  La  La7  1  0.250  0.000  0.072  1.0
  C  C8  1  0.750  0.500  0.237  1.0
  C  C9  1  0.250  0.500  0.763  1.0
  C  C10  1  0.250  0.000  0.237  1.0
  C  C11  1  0.750  0.000  0.763  1.0
  O  O12  1  0.250  0.000  0.577  1.0
  O  O13  1  0.750  0.000  0.423  1.0
  O  O14  1  0.390  0.875  0.205  1.0
  O  O15  1  0.610  0.375  0.205  1.0
  O  O16  1  0.390  0.625  0.795  1.0
  O  O17  1  0.110  0.125  0.205  1.0
  O  O18  1  0.510  0.750  0.000  1.0
  O  O19  1  0.010  0.750  0.000  1.0
  O  O20  1  0.610  0.125  0.795  1.0
  O  O21  1  0.890  0.875  0.795  1.0
  O  O22  1  0.250  0.500  0.423  1.0
  O  O23  1  0.990  0.250  0.000  1.0
  O  O24  1  0.750  0.500  0.577  1.0
  O  O25  1  0.110  0.375  0.795  1.0
  O  O26  1  0.490  0.250  0.000  1.0
  O  O27  1  0.890  0.625  0.205  1.0
[/CIF]
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