The material described by KCe2FeO5 crystallizes in the orthorhombic Pna2_1 space group. K(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), two equivalent O(3), and three equivalent O(5) atoms. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted CeO5 trigonal bipyramids that share corners with four equivalent Fe(1)O4 tetrahedra. In the second Ce site, Ce(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms. Fe(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form FeO4 tetrahedra that share corners with four equivalent Ce(1)O5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(5) is bonded in a 6-coordinate geometry to three 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 4-coordinate geometry to one K(1), one Ce(1), one Ce(2), and one Fe(1) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to one K(1), one Ce(1), and two equivalent Ce(2) atoms. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to two equivalent K(1), one Ce(1), one Ce(2), and one Fe(1) atom. In the fifth O site, O(4) is bonded in a distorted trigonal pyramidal geometry to one K(1), one Ce(1), one Ce(2), and one Fe(1) atom. is represented by the CIF file [CIF]
data_KCe2FeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.959
_cell_length_b   9.200
_cell_length_c   11.042
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   605.331
_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  0.248  0.003  0.354  1.0
  K  K1  1  0.248  0.497  0.854  1.0
  K  K2  1  0.748  0.997  0.646  1.0
  K  K3  1  0.748  0.503  0.146  1.0
  Ce  Ce4  1  0.230  0.288  0.141  1.0
  Ce  Ce5  1  0.230  0.212  0.641  1.0
  Ce  Ce6  1  0.730  0.712  0.859  1.0
  Ce  Ce7  1  0.730  0.788  0.359  1.0
  Ce  Ce8  1  0.245  0.001  0.885  1.0
  Ce  Ce9  1  0.245  0.499  0.385  1.0
  Ce  Ce10  1  0.745  0.999  0.115  1.0
  Ce  Ce11  1  0.745  0.501  0.615  1.0
  Fe  Fe12  1  0.255  0.745  0.112  1.0
  Fe  Fe13  1  0.255  0.755  0.612  1.0
  Fe  Fe14  1  0.755  0.255  0.888  1.0
  Fe  Fe15  1  0.755  0.245  0.388  1.0
  O  O16  1  0.884  0.222  0.061  1.0
  O  O17  1  0.384  0.778  0.939  1.0
  O  O18  1  0.384  0.722  0.439  1.0
  O  O19  1  0.884  0.278  0.561  1.0
  O  O20  1  0.381  0.077  0.071  1.0
  O  O21  1  0.381  0.423  0.571  1.0
  O  O22  1  0.881  0.923  0.929  1.0
  O  O23  1  0.881  0.577  0.429  1.0
  O  O24  1  0.046  0.199  0.809  1.0
  O  O25  1  0.499  0.335  0.295  1.0
  O  O26  1  0.546  0.801  0.191  1.0
  O  O27  1  0.999  0.665  0.705  1.0
  O  O28  1  0.999  0.835  0.205  1.0
  O  O29  1  0.546  0.699  0.691  1.0
  O  O30  1  0.499  0.165  0.795  1.0
  O  O31  1  0.046  0.301  0.309  1.0
  O  O32  1  0.219  0.977  0.629  1.0
  O  O33  1  0.219  0.523  0.129  1.0
  O  O34  1  0.719  0.023  0.371  1.0
  O  O35  1  0.719  0.477  0.871  1.0
[/CIF]
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The material described by KCe2FeO5 crystallizes in the orthorhombic Pna2_1 space group. K(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), two equivalent O(3), and three equivalent O(5) atoms. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted CeO5 trigonal bipyramids that share corners with four equivalent Fe(1)O4 tetrahedra. In the second Ce site, Ce(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms. Fe(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form FeO4 tetrahedra that share corners with four equivalent Ce(1)O5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(5) is bonded in a 6-coordinate geometry to three 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 4-coordinate geometry to one K(1), one Ce(1), one Ce(2), and one Fe(1) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to one K(1), one Ce(1), and two equivalent Ce(2) atoms. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to two equivalent K(1), one Ce(1), one Ce(2), and one Fe(1) atom. In the fifth O site, O(4) is bonded in a distorted trigonal pyramidal geometry to one K(1), one Ce(1), one Ce(2), and one Fe(1) atom. is represented by the CIF file [CIF]
data_KCe2FeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.959
_cell_length_b   9.200
_cell_length_c   11.042
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   605.331
_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  0.248  0.003  0.354  1.0
  K  K1  1  0.248  0.497  0.854  1.0
  K  K2  1  0.748  0.997  0.646  1.0
  K  K3  1  0.748  0.503  0.146  1.0
  Ce  Ce4  1  0.230  0.288  0.141  1.0
  Ce  Ce5  1  0.230  0.212  0.641  1.0
  Ce  Ce6  1  0.730  0.712  0.859  1.0
  Ce  Ce7  1  0.730  0.788  0.359  1.0
  Ce  Ce8  1  0.245  0.001  0.885  1.0
  Ce  Ce9  1  0.245  0.499  0.385  1.0
  Ce  Ce10  1  0.745  0.999  0.115  1.0
  Ce  Ce11  1  0.745  0.501  0.615  1.0
  Fe  Fe12  1  0.255  0.745  0.112  1.0
  Fe  Fe13  1  0.255  0.755  0.612  1.0
  Fe  Fe14  1  0.755  0.255  0.888  1.0
  Fe  Fe15  1  0.755  0.245  0.388  1.0
  O  O16  1  0.884  0.222  0.061  1.0
  O  O17  1  0.384  0.778  0.939  1.0
  O  O18  1  0.384  0.722  0.439  1.0
  O  O19  1  0.884  0.278  0.561  1.0
  O  O20  1  0.381  0.077  0.071  1.0
  O  O21  1  0.381  0.423  0.571  1.0
  O  O22  1  0.881  0.923  0.929  1.0
  O  O23  1  0.881  0.577  0.429  1.0
  O  O24  1  0.046  0.199  0.809  1.0
  O  O25  1  0.499  0.335  0.295  1.0
  O  O26  1  0.546  0.801  0.191  1.0
  O  O27  1  0.999  0.665  0.705  1.0
  O  O28  1  0.999  0.835  0.205  1.0
  O  O29  1  0.546  0.699  0.691  1.0
  O  O30  1  0.499  0.165  0.795  1.0
  O  O31  1  0.046  0.301  0.309  1.0
  O  O32  1  0.219  0.977  0.629  1.0
  O  O33  1  0.219  0.523  0.129  1.0
  O  O34  1  0.719  0.023  0.371  1.0
  O  O35  1  0.719  0.477  0.871  1.0
[/CIF]
.