The material described by CeKFeMoO6 crystallizes in the monoclinic Pc space group. K(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms. Ce(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Mo(1) is bonded in a distorted trigonal bipyramidal geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. Fe(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Ce(1), one Mo(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted tetrahedral geometry to one K(1), one Ce(1), one Mo(1), and one O(4) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one K(1), one Ce(1), one Mo(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one K(1), one Ce(1), one Fe(1), and one O(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one K(1), one Ce(1), one Mo(1), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent K(1), one Ce(1), and one Mo(1) atom. is represented by the CIF card [CIF]
data_KCeFeMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.321
_cell_length_b   5.955
_cell_length_c   9.813
_cell_angle_alpha   58.873
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   316.211
_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  0.800  0.743  0.745  1.0
  K  K1  1  0.200  0.743  0.245  1.0
  Ce  Ce2  1  0.781  0.191  0.307  1.0
  Ce  Ce3  1  0.219  0.191  0.807  1.0
  Fe  Fe4  1  0.606  0.516  0.500  1.0
  Fe  Fe5  1  0.394  0.516  0.000  1.0
  Mo  Mo6  1  0.693  0.968  0.995  1.0
  Mo  Mo7  1  0.307  0.968  0.495  1.0
  O  O8  1  0.382  0.570  0.637  1.0
  O  O9  1  0.618  0.570  0.137  1.0
  O  O10  1  0.132  0.235  0.541  1.0
  O  O11  1  0.868  0.235  0.041  1.0
  O  O12  1  0.463  0.896  0.856  1.0
  O  O13  1  0.537  0.896  0.356  1.0
  O  O14  1  0.100  0.273  0.013  1.0
  O  O15  1  0.900  0.273  0.513  1.0
  O  O16  1  0.534  0.221  0.471  1.0
  O  O17  1  0.466  0.221  0.971  1.0
  O  O18  1  0.009  0.888  0.434  1.0
  O  O19  1  0.991  0.888  0.934  1.0
[/CIF]
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The material described by CeKFeMoO6 crystallizes in the monoclinic Pc space group. K(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms. Ce(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Mo(1) is bonded in a distorted trigonal bipyramidal geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. Fe(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Ce(1), one Mo(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted tetrahedral geometry to one K(1), one Ce(1), one Mo(1), and one O(4) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one K(1), one Ce(1), one Mo(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one K(1), one Ce(1), one Fe(1), and one O(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one K(1), one Ce(1), one Mo(1), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent K(1), one Ce(1), and one Mo(1) atom. is represented by the CIF card [CIF]
data_KCeFeMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.321
_cell_length_b   5.955
_cell_length_c   9.813
_cell_angle_alpha   58.873
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   316.211
_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  0.800  0.743  0.745  1.0
  K  K1  1  0.200  0.743  0.245  1.0
  Ce  Ce2  1  0.781  0.191  0.307  1.0
  Ce  Ce3  1  0.219  0.191  0.807  1.0
  Fe  Fe4  1  0.606  0.516  0.500  1.0
  Fe  Fe5  1  0.394  0.516  0.000  1.0
  Mo  Mo6  1  0.693  0.968  0.995  1.0
  Mo  Mo7  1  0.307  0.968  0.495  1.0
  O  O8  1  0.382  0.570  0.637  1.0
  O  O9  1  0.618  0.570  0.137  1.0
  O  O10  1  0.132  0.235  0.541  1.0
  O  O11  1  0.868  0.235  0.041  1.0
  O  O12  1  0.463  0.896  0.856  1.0
  O  O13  1  0.537  0.896  0.356  1.0
  O  O14  1  0.100  0.273  0.013  1.0
  O  O15  1  0.900  0.273  0.513  1.0
  O  O16  1  0.534  0.221  0.471  1.0
  O  O17  1  0.466  0.221  0.971  1.0
  O  O18  1  0.009  0.888  0.434  1.0
  O  O19  1  0.991  0.888  0.934  1.0
[/CIF]
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