The compound described by Na2CeCPO7 crystallizes in the monoclinic P2_1/m space group. Na(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. Ce(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. 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 in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one C(1) atom. In the second O site, O(2) is bonded to two equivalent Na(1), one Ce(1), and one C(1) atom to form distorted corner-sharing ONa2CeC trigonal pyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Ce(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Ce(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Na(1), two equivalent Ce(1), and one P(1) atom. In the sixth O site, O(6) is bonded to two equivalent Na(1), one Ce(1), and one P(1) atom to form distorted corner-sharing ONa2CeP tetrahedra. is represented by the CIF card [CIF]
data_Na2CePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.175
_cell_length_b   5.234
_cell_length_c   9.507
_cell_angle_alpha   89.672
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   357.055
_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
  Na  Na0  1  0.007  0.232  0.799  1.0
  Na  Na1  1  0.493  0.232  0.799  1.0
  Na  Na2  1  0.507  0.768  0.201  1.0
  Na  Na3  1  0.993  0.768  0.201  1.0
  Ce  Ce4  1  0.750  0.769  0.612  1.0
  Ce  Ce5  1  0.250  0.231  0.388  1.0
  P  P6  1  0.250  0.711  0.591  1.0
  P  P7  1  0.750  0.289  0.409  1.0
  C  C8  1  0.750  0.733  0.916  1.0
  C  C9  1  0.250  0.267  0.084  1.0
  O  O10  1  0.250  0.291  0.952  1.0
  O  O11  1  0.750  0.955  0.851  1.0
  O  O12  1  0.750  0.532  0.831  1.0
  O  O13  1  0.074  0.847  0.648  1.0
  O  O14  1  0.426  0.847  0.648  1.0
  O  O15  1  0.750  0.268  0.574  1.0
  O  O16  1  0.250  0.420  0.626  1.0
  O  O17  1  0.750  0.580  0.374  1.0
  O  O18  1  0.250  0.732  0.426  1.0
  O  O19  1  0.574  0.153  0.352  1.0
  O  O20  1  0.926  0.153  0.352  1.0
  O  O21  1  0.250  0.468  0.169  1.0
  O  O22  1  0.250  0.045  0.149  1.0
  O  O23  1  0.750  0.709  0.048  1.0
[/CIF]
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The compound described by Na2CeCPO7 crystallizes in the monoclinic P2_1/m space group. Na(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. Ce(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. 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 in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one C(1) atom. In the second O site, O(2) is bonded to two equivalent Na(1), one Ce(1), and one C(1) atom to form distorted corner-sharing ONa2CeC trigonal pyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Ce(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Ce(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Na(1), two equivalent Ce(1), and one P(1) atom. In the sixth O site, O(6) is bonded to two equivalent Na(1), one Ce(1), and one P(1) atom to form distorted corner-sharing ONa2CeP tetrahedra. is represented by the CIF card [CIF]
data_Na2CePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.175
_cell_length_b   5.234
_cell_length_c   9.507
_cell_angle_alpha   89.672
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   357.055
_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
  Na  Na0  1  0.007  0.232  0.799  1.0
  Na  Na1  1  0.493  0.232  0.799  1.0
  Na  Na2  1  0.507  0.768  0.201  1.0
  Na  Na3  1  0.993  0.768  0.201  1.0
  Ce  Ce4  1  0.750  0.769  0.612  1.0
  Ce  Ce5  1  0.250  0.231  0.388  1.0
  P  P6  1  0.250  0.711  0.591  1.0
  P  P7  1  0.750  0.289  0.409  1.0
  C  C8  1  0.750  0.733  0.916  1.0
  C  C9  1  0.250  0.267  0.084  1.0
  O  O10  1  0.250  0.291  0.952  1.0
  O  O11  1  0.750  0.955  0.851  1.0
  O  O12  1  0.750  0.532  0.831  1.0
  O  O13  1  0.074  0.847  0.648  1.0
  O  O14  1  0.426  0.847  0.648  1.0
  O  O15  1  0.750  0.268  0.574  1.0
  O  O16  1  0.250  0.420  0.626  1.0
  O  O17  1  0.750  0.580  0.374  1.0
  O  O18  1  0.250  0.732  0.426  1.0
  O  O19  1  0.574  0.153  0.352  1.0
  O  O20  1  0.926  0.153  0.352  1.0
  O  O21  1  0.250  0.468  0.169  1.0
  O  O22  1  0.250  0.045  0.149  1.0
  O  O23  1  0.750  0.709  0.048  1.0
[/CIF]
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