The material described by K3Ce(AsO4)2 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 1-coordinate geometry to one O(4) and one O(6) atom. In the second K site, K(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. In the third K site, K(3) is bonded in a 9-coordinate geometry to one O(1), one O(3), two equivalent O(2), two equivalent O(5), and three equivalent O(4) atoms. Ce(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(6), two equivalent O(2), and two equivalent O(5) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a tetrahedral geometry to one O(3), one O(6), and two equivalent O(2) atoms. In the second As site, As(2) is bonded in a tetrahedral geometry to one O(1), one O(4), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one K(3), two equivalent K(2), one Ce(1), and one As(2) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one K(2), one K(3), one Ce(1), and one As(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one K(3), one Ce(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one K(1), one K(2), three equivalent K(3), and one As(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one K(3), two equivalent K(2), one Ce(1), and one As(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one Ce(1), and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3Ce(AsO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.964
_cell_length_b   7.756
_cell_length_c   10.033
_cell_angle_alpha   88.374
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   463.947
_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  0.250  0.859  0.410  1.0
  K  K1  1  0.750  0.141  0.590  1.0
  K  K2  1  0.250  0.298  0.084  1.0
  K  K3  1  0.750  0.702  0.916  1.0
  K  K4  1  0.250  0.006  0.804  1.0
  K  K5  1  0.750  0.994  0.196  1.0
  Ce  Ce6  1  0.250  0.510  0.713  1.0
  Ce  Ce7  1  0.750  0.490  0.287  1.0
  As  As8  1  0.250  0.308  0.427  1.0
  As  As9  1  0.750  0.692  0.573  1.0
  As  As10  1  0.250  0.738  0.086  1.0
  As  As11  1  0.750  0.262  0.914  1.0
  O  O12  1  0.250  0.682  0.921  1.0
  O  O13  1  0.750  0.318  0.079  1.0
  O  O14  1  0.486  0.250  0.338  1.0
  O  O15  1  0.514  0.750  0.662  1.0
  O  O16  1  0.986  0.750  0.662  1.0
  O  O17  1  0.014  0.250  0.338  1.0
  O  O18  1  0.250  0.209  0.584  1.0
  O  O19  1  0.750  0.791  0.416  1.0
  O  O20  1  0.250  0.956  0.104  1.0
  O  O21  1  0.750  0.044  0.896  1.0
  O  O22  1  0.487  0.652  0.162  1.0
  O  O23  1  0.513  0.348  0.838  1.0
  O  O24  1  0.987  0.348  0.838  1.0
  O  O25  1  0.013  0.652  0.162  1.0
  O  O26  1  0.250  0.525  0.456  1.0
  O  O27  1  0.750  0.475  0.544  1.0
[/CIF]
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The material described by K3Ce(AsO4)2 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 1-coordinate geometry to one O(4) and one O(6) atom. In the second K site, K(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. In the third K site, K(3) is bonded in a 9-coordinate geometry to one O(1), one O(3), two equivalent O(2), two equivalent O(5), and three equivalent O(4) atoms. Ce(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(6), two equivalent O(2), and two equivalent O(5) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a tetrahedral geometry to one O(3), one O(6), and two equivalent O(2) atoms. In the second As site, As(2) is bonded in a tetrahedral geometry to one O(1), one O(4), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one K(3), two equivalent K(2), one Ce(1), and one As(2) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one K(2), one K(3), one Ce(1), and one As(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one K(3), one Ce(1), and one As(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one K(1), one K(2), three equivalent K(3), and one As(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one K(3), two equivalent K(2), one Ce(1), and one As(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one Ce(1), and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3Ce(AsO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.964
_cell_length_b   7.756
_cell_length_c   10.033
_cell_angle_alpha   88.374
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   463.947
_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  0.250  0.859  0.410  1.0
  K  K1  1  0.750  0.141  0.590  1.0
  K  K2  1  0.250  0.298  0.084  1.0
  K  K3  1  0.750  0.702  0.916  1.0
  K  K4  1  0.250  0.006  0.804  1.0
  K  K5  1  0.750  0.994  0.196  1.0
  Ce  Ce6  1  0.250  0.510  0.713  1.0
  Ce  Ce7  1  0.750  0.490  0.287  1.0
  As  As8  1  0.250  0.308  0.427  1.0
  As  As9  1  0.750  0.692  0.573  1.0
  As  As10  1  0.250  0.738  0.086  1.0
  As  As11  1  0.750  0.262  0.914  1.0
  O  O12  1  0.250  0.682  0.921  1.0
  O  O13  1  0.750  0.318  0.079  1.0
  O  O14  1  0.486  0.250  0.338  1.0
  O  O15  1  0.514  0.750  0.662  1.0
  O  O16  1  0.986  0.750  0.662  1.0
  O  O17  1  0.014  0.250  0.338  1.0
  O  O18  1  0.250  0.209  0.584  1.0
  O  O19  1  0.750  0.791  0.416  1.0
  O  O20  1  0.250  0.956  0.104  1.0
  O  O21  1  0.750  0.044  0.896  1.0
  O  O22  1  0.487  0.652  0.162  1.0
  O  O23  1  0.513  0.348  0.838  1.0
  O  O24  1  0.987  0.348  0.838  1.0
  O  O25  1  0.013  0.652  0.162  1.0
  O  O26  1  0.250  0.525  0.456  1.0
  O  O27  1  0.750  0.475  0.544  1.0
[/CIF]
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