The material structure described by KCe2FeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 10-coordinate geometry to two equivalent O(4), four equivalent O(1), and four equivalent O(3) atoms. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. In the second Ce site, Ce(2) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. Fe(1) is bonded in an octahedral geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 5-coordinate geometry to two equivalent K(1), one Ce(1), one Ce(2), and one Fe(1) atom. In the second O site, O(1) is bonded in a 2-coordinate geometry to two equivalent K(1), one Ce(1), one Ce(2), and one Fe(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one Ce(1), one Ce(2), and one Fe(1) atom. In the fourth O site, O(3) is bonded in a 5-coordinate geometry to two equivalent K(1), one Ce(1), one Ce(2), and one Fe(1) atom. is represented by the CIF file [CIF]
data_KCe2FeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.994
_cell_length_b   8.446
_cell_length_c   11.558
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   585.128
_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  0.019  0.371  1.0
  K  K1  1  0.250  0.481  0.871  1.0
  K  K2  1  0.750  0.981  0.629  1.0
  K  K3  1  0.750  0.519  0.129  1.0
  Ce  Ce4  1  0.250  0.285  0.141  1.0
  Ce  Ce5  1  0.250  0.215  0.641  1.0
  Ce  Ce6  1  0.750  0.715  0.859  1.0
  Ce  Ce7  1  0.750  0.785  0.359  1.0
  Ce  Ce8  1  0.250  0.996  0.882  1.0
  Ce  Ce9  1  0.250  0.504  0.382  1.0
  Ce  Ce10  1  0.750  0.004  0.118  1.0
  Ce  Ce11  1  0.750  0.496  0.618  1.0
  Fe  Fe12  1  0.250  0.764  0.106  1.0
  Fe  Fe13  1  0.250  0.736  0.606  1.0
  Fe  Fe14  1  0.750  0.236  0.894  1.0
  Fe  Fe15  1  0.750  0.264  0.394  1.0
  O  O16  1  0.967  0.263  0.031  1.0
  O  O17  1  0.533  0.237  0.531  1.0
  O  O18  1  0.467  0.737  0.969  1.0
  O  O19  1  0.033  0.763  0.469  1.0
  O  O20  1  0.033  0.737  0.969  1.0
  O  O21  1  0.467  0.763  0.469  1.0
  O  O22  1  0.533  0.263  0.031  1.0
  O  O23  1  0.967  0.237  0.531  1.0
  O  O24  1  0.250  0.009  0.069  1.0
  O  O25  1  0.250  0.491  0.569  1.0
  O  O26  1  0.750  0.991  0.931  1.0
  O  O27  1  0.750  0.509  0.431  1.0
  O  O28  1  0.024  0.175  0.798  1.0
  O  O29  1  0.476  0.325  0.298  1.0
  O  O30  1  0.524  0.825  0.202  1.0
  O  O31  1  0.976  0.675  0.702  1.0
  O  O32  1  0.976  0.825  0.202  1.0
  O  O33  1  0.524  0.675  0.702  1.0
  O  O34  1  0.476  0.175  0.798  1.0
  O  O35  1  0.024  0.325  0.298  1.0
  O  O36  1  0.250  0.948  0.677  1.0
  O  O37  1  0.250  0.552  0.177  1.0
  O  O38  1  0.750  0.052  0.323  1.0
  O  O39  1  0.750  0.448  0.823  1.0
[/CIF]
.
The material structure described by KCe2FeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 10-coordinate geometry to two equivalent O(4), four equivalent O(1), and four equivalent O(3) atoms. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. In the second Ce site, Ce(2) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. Fe(1) is bonded in an octahedral geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 5-coordinate geometry to two equivalent K(1), one Ce(1), one Ce(2), and one Fe(1) atom. In the second O site, O(1) is bonded in a 2-coordinate geometry to two equivalent K(1), one Ce(1), one Ce(2), and one Fe(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one Ce(1), one Ce(2), and one Fe(1) atom. In the fourth O site, O(3) is bonded in a 5-coordinate geometry to two equivalent K(1), one Ce(1), one Ce(2), and one Fe(1) atom. is represented by the CIF file [CIF]
data_KCe2FeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.994
_cell_length_b   8.446
_cell_length_c   11.558
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   585.128
_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  0.019  0.371  1.0
  K  K1  1  0.250  0.481  0.871  1.0
  K  K2  1  0.750  0.981  0.629  1.0
  K  K3  1  0.750  0.519  0.129  1.0
  Ce  Ce4  1  0.250  0.285  0.141  1.0
  Ce  Ce5  1  0.250  0.215  0.641  1.0
  Ce  Ce6  1  0.750  0.715  0.859  1.0
  Ce  Ce7  1  0.750  0.785  0.359  1.0
  Ce  Ce8  1  0.250  0.996  0.882  1.0
  Ce  Ce9  1  0.250  0.504  0.382  1.0
  Ce  Ce10  1  0.750  0.004  0.118  1.0
  Ce  Ce11  1  0.750  0.496  0.618  1.0
  Fe  Fe12  1  0.250  0.764  0.106  1.0
  Fe  Fe13  1  0.250  0.736  0.606  1.0
  Fe  Fe14  1  0.750  0.236  0.894  1.0
  Fe  Fe15  1  0.750  0.264  0.394  1.0
  O  O16  1  0.967  0.263  0.031  1.0
  O  O17  1  0.533  0.237  0.531  1.0
  O  O18  1  0.467  0.737  0.969  1.0
  O  O19  1  0.033  0.763  0.469  1.0
  O  O20  1  0.033  0.737  0.969  1.0
  O  O21  1  0.467  0.763  0.469  1.0
  O  O22  1  0.533  0.263  0.031  1.0
  O  O23  1  0.967  0.237  0.531  1.0
  O  O24  1  0.250  0.009  0.069  1.0
  O  O25  1  0.250  0.491  0.569  1.0
  O  O26  1  0.750  0.991  0.931  1.0
  O  O27  1  0.750  0.509  0.431  1.0
  O  O28  1  0.024  0.175  0.798  1.0
  O  O29  1  0.476  0.325  0.298  1.0
  O  O30  1  0.524  0.825  0.202  1.0
  O  O31  1  0.976  0.675  0.702  1.0
  O  O32  1  0.976  0.825  0.202  1.0
  O  O33  1  0.524  0.675  0.702  1.0
  O  O34  1  0.476  0.175  0.798  1.0
  O  O35  1  0.024  0.325  0.298  1.0
  O  O36  1  0.250  0.948  0.677  1.0
  O  O37  1  0.250  0.552  0.177  1.0
  O  O38  1  0.750  0.052  0.323  1.0
  O  O39  1  0.750  0.448  0.823  1.0
[/CIF]
.