The material described by KCe(SO4)2 crystallizes in the triclinic P-1 space group. K(1) is bonded in a 9-coordinate geometry to one O(2), one O(5), one O(6), one O(7), one O(8), two equivalent O(1), and two equivalent O(3) atoms. Ce(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(2), one O(6), one O(7), and one O(8) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(5) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1), one Ce(1), and one S(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one Ce(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent K(1), one Ce(1), and one S(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ce(1) and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one K(1), one Ce(1), and one S(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one K(1), one Ce(1), and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(1), one Ce(1), and one S(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one K(1), one Ce(1), and one S(1) atom. is represented by the CIF file [CIF]
data_KCe(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.522
_cell_length_b   7.137
_cell_length_c   8.625
_cell_angle_alpha   85.695
_cell_angle_beta   88.786
_cell_angle_gamma   88.190
_symmetry_Int_Tables_number   1
_cell_volume   338.716
_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  0.253  0.846  0.187  1.0
  K  K1  1  0.747  0.154  0.813  1.0
  Ce  Ce2  1  0.686  0.318  0.296  1.0
  Ce  Ce3  1  0.314  0.682  0.704  1.0
  S  S4  1  0.222  0.200  0.547  1.0
  S  S5  1  0.778  0.800  0.453  1.0
  S  S6  1  0.242  0.326  0.070  1.0
  S  S7  1  0.758  0.674  0.930  1.0
  O  O8  1  0.020  0.216  0.103  1.0
  O  O9  1  0.980  0.784  0.897  1.0
  O  O10  1  0.213  0.052  0.676  1.0
  O  O11  1  0.787  0.948  0.324  1.0
  O  O12  1  0.462  0.195  0.079  1.0
  O  O13  1  0.538  0.805  0.921  1.0
  O  O14  1  0.769  0.577  0.087  1.0
  O  O15  1  0.231  0.423  0.913  1.0
  O  O16  1  0.274  0.458  0.194  1.0
  O  O17  1  0.726  0.542  0.806  1.0
  O  O18  1  0.373  0.359  0.588  1.0
  O  O19  1  0.627  0.641  0.412  1.0
  O  O20  1  0.337  0.126  0.405  1.0
  O  O21  1  0.663  0.874  0.595  1.0
  O  O22  1  0.031  0.728  0.486  1.0
  O  O23  1  0.969  0.272  0.514  1.0
[/CIF]
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The material described by KCe(SO4)2 crystallizes in the triclinic P-1 space group. K(1) is bonded in a 9-coordinate geometry to one O(2), one O(5), one O(6), one O(7), one O(8), two equivalent O(1), and two equivalent O(3) atoms. Ce(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(2), one O(6), one O(7), and one O(8) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(5) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1), one Ce(1), and one S(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one Ce(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent K(1), one Ce(1), and one S(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ce(1) and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one K(1), one Ce(1), and one S(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one K(1), one Ce(1), and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(1), one Ce(1), and one S(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one K(1), one Ce(1), and one S(1) atom. is represented by the CIF file [CIF]
data_KCe(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.522
_cell_length_b   7.137
_cell_length_c   8.625
_cell_angle_alpha   85.695
_cell_angle_beta   88.786
_cell_angle_gamma   88.190
_symmetry_Int_Tables_number   1
_cell_volume   338.716
_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  0.253  0.846  0.187  1.0
  K  K1  1  0.747  0.154  0.813  1.0
  Ce  Ce2  1  0.686  0.318  0.296  1.0
  Ce  Ce3  1  0.314  0.682  0.704  1.0
  S  S4  1  0.222  0.200  0.547  1.0
  S  S5  1  0.778  0.800  0.453  1.0
  S  S6  1  0.242  0.326  0.070  1.0
  S  S7  1  0.758  0.674  0.930  1.0
  O  O8  1  0.020  0.216  0.103  1.0
  O  O9  1  0.980  0.784  0.897  1.0
  O  O10  1  0.213  0.052  0.676  1.0
  O  O11  1  0.787  0.948  0.324  1.0
  O  O12  1  0.462  0.195  0.079  1.0
  O  O13  1  0.538  0.805  0.921  1.0
  O  O14  1  0.769  0.577  0.087  1.0
  O  O15  1  0.231  0.423  0.913  1.0
  O  O16  1  0.274  0.458  0.194  1.0
  O  O17  1  0.726  0.542  0.806  1.0
  O  O18  1  0.373  0.359  0.588  1.0
  O  O19  1  0.627  0.641  0.412  1.0
  O  O20  1  0.337  0.126  0.405  1.0
  O  O21  1  0.663  0.874  0.595  1.0
  O  O22  1  0.031  0.728  0.486  1.0
  O  O23  1  0.969  0.272  0.514  1.0
[/CIF]
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