The material structure described by KCeCPO7 crystallizes in the monoclinic P2_1 space group. K(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. Ce(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form CeO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with four equivalent Ce(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-39°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one K(1) and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Ce(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one Ce(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ce(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one K(1), one Ce(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one K(1), one Ce(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one K(1), one Ce(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.092
_cell_length_b   5.818
_cell_length_c   10.194
_cell_angle_alpha   89.515
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   420.660
_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  0.543  0.751  0.781  1.0
  K  K1  1  0.043  0.249  0.219  1.0
  Ce  Ce2  1  0.225  0.219  0.650  1.0
  Ce  Ce3  1  0.725  0.781  0.350  1.0
  P  P4  1  0.733  0.281  0.565  1.0
  P  P5  1  0.233  0.719  0.435  1.0
  C  C6  1  0.268  0.274  0.916  1.0
  C  C7  1  0.768  0.726  0.084  1.0
  O  O8  1  0.777  0.694  0.965  1.0
  O  O9  1  0.262  0.069  0.858  1.0
  O  O10  1  0.261  0.446  0.827  1.0
  O  O11  1  0.909  0.230  0.650  1.0
  O  O12  1  0.552  0.217  0.643  1.0
  O  O13  1  0.246  0.863  0.564  1.0
  O  O14  1  0.727  0.542  0.527  1.0
  O  O15  1  0.227  0.458  0.473  1.0
  O  O16  1  0.746  0.137  0.436  1.0
  O  O17  1  0.052  0.783  0.357  1.0
  O  O18  1  0.409  0.770  0.350  1.0
  O  O19  1  0.761  0.554  0.173  1.0
  O  O20  1  0.762  0.931  0.142  1.0
  O  O21  1  0.277  0.306  0.035  1.0
[/CIF]
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The material structure described by KCeCPO7 crystallizes in the monoclinic P2_1 space group. K(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. Ce(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form CeO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with four equivalent Ce(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-39°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one K(1) and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Ce(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one Ce(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ce(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one K(1), one Ce(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one K(1), one Ce(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one K(1), one Ce(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.092
_cell_length_b   5.818
_cell_length_c   10.194
_cell_angle_alpha   89.515
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   420.660
_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  0.543  0.751  0.781  1.0
  K  K1  1  0.043  0.249  0.219  1.0
  Ce  Ce2  1  0.225  0.219  0.650  1.0
  Ce  Ce3  1  0.725  0.781  0.350  1.0
  P  P4  1  0.733  0.281  0.565  1.0
  P  P5  1  0.233  0.719  0.435  1.0
  C  C6  1  0.268  0.274  0.916  1.0
  C  C7  1  0.768  0.726  0.084  1.0
  O  O8  1  0.777  0.694  0.965  1.0
  O  O9  1  0.262  0.069  0.858  1.0
  O  O10  1  0.261  0.446  0.827  1.0
  O  O11  1  0.909  0.230  0.650  1.0
  O  O12  1  0.552  0.217  0.643  1.0
  O  O13  1  0.246  0.863  0.564  1.0
  O  O14  1  0.727  0.542  0.527  1.0
  O  O15  1  0.227  0.458  0.473  1.0
  O  O16  1  0.746  0.137  0.436  1.0
  O  O17  1  0.052  0.783  0.357  1.0
  O  O18  1  0.409  0.770  0.350  1.0
  O  O19  1  0.761  0.554  0.173  1.0
  O  O20  1  0.762  0.931  0.142  1.0
  O  O21  1  0.277  0.306  0.035  1.0
[/CIF]
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