The compound described by NaCeP2O7 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(5), and four equivalent O(2) atoms. Ce(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), and two equivalent O(5) atoms to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form corner-sharing PO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(5) is bonded in a distorted single-bond geometry to one Na(1), two equivalent Ce(1), and one P(1) atom. In the third O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Na(1), one Ce(1), and one P(2) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Na(1), one Ce(1), and one P(2) atom. In the fifth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Na(1), two equivalent Ce(1), and one P(1) atom. is represented by the CIF card [CIF]
data_NaCeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.333
_cell_length_b   8.718
_cell_length_c   12.762
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   593.357
_cell_formula_units_Z   4
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  0.750  0.619  0.921  1.0
  Na  Na1  1  0.250  0.381  0.079  1.0
  Na  Na2  1  0.750  0.119  0.579  1.0
  Na  Na3  1  0.250  0.881  0.421  1.0
  Ce  Ce4  1  0.250  0.813  0.736  1.0
  Ce  Ce5  1  0.750  0.187  0.264  1.0
  Ce  Ce6  1  0.250  0.313  0.764  1.0
  Ce  Ce7  1  0.750  0.687  0.236  1.0
  P  P8  1  0.750  0.013  0.818  1.0
  P  P9  1  0.250  0.987  0.182  1.0
  P  P10  1  0.750  0.513  0.682  1.0
  P  P11  1  0.250  0.487  0.318  1.0
  P  P12  1  0.250  0.737  0.034  1.0
  P  P13  1  0.750  0.263  0.966  1.0
  P  P14  1  0.250  0.237  0.466  1.0
  P  P15  1  0.750  0.763  0.534  1.0
  O  O16  1  0.250  0.736  0.914  1.0
  O  O17  1  0.750  0.264  0.086  1.0
  O  O18  1  0.250  0.236  0.586  1.0
  O  O19  1  0.750  0.764  0.414  1.0
  O  O20  1  0.487  0.163  0.421  1.0
  O  O21  1  0.987  0.837  0.579  1.0
  O  O22  1  0.013  0.663  0.079  1.0
  O  O23  1  0.513  0.337  0.921  1.0
  O  O24  1  0.513  0.837  0.579  1.0
  O  O25  1  0.013  0.163  0.421  1.0
  O  O26  1  0.987  0.337  0.921  1.0
  O  O27  1  0.487  0.663  0.079  1.0
  O  O28  1  0.750  0.839  0.824  1.0
  O  O29  1  0.250  0.161  0.176  1.0
  O  O30  1  0.750  0.339  0.676  1.0
  O  O31  1  0.250  0.661  0.324  1.0
  O  O32  1  0.750  0.581  0.564  1.0
  O  O33  1  0.250  0.419  0.436  1.0
  O  O34  1  0.750  0.081  0.936  1.0
  O  O35  1  0.250  0.919  0.064  1.0
  O  O36  1  0.493  0.931  0.236  1.0
  O  O37  1  0.993  0.069  0.764  1.0
  O  O38  1  0.007  0.431  0.264  1.0
  O  O39  1  0.507  0.569  0.736  1.0
  O  O40  1  0.507  0.069  0.764  1.0
  O  O41  1  0.007  0.931  0.236  1.0
  O  O42  1  0.993  0.569  0.736  1.0
  O  O43  1  0.493  0.431  0.264  1.0
[/CIF]
.
The compound described by NaCeP2O7 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(5), and four equivalent O(2) atoms. Ce(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), and two equivalent O(5) atoms to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form corner-sharing PO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(5) is bonded in a distorted single-bond geometry to one Na(1), two equivalent Ce(1), and one P(1) atom. In the third O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Na(1), one Ce(1), and one P(2) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Na(1), one Ce(1), and one P(2) atom. In the fifth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Na(1), two equivalent Ce(1), and one P(1) atom. is represented by the CIF card [CIF]
data_NaCeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.333
_cell_length_b   8.718
_cell_length_c   12.762
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   593.357
_cell_formula_units_Z   4
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  0.750  0.619  0.921  1.0
  Na  Na1  1  0.250  0.381  0.079  1.0
  Na  Na2  1  0.750  0.119  0.579  1.0
  Na  Na3  1  0.250  0.881  0.421  1.0
  Ce  Ce4  1  0.250  0.813  0.736  1.0
  Ce  Ce5  1  0.750  0.187  0.264  1.0
  Ce  Ce6  1  0.250  0.313  0.764  1.0
  Ce  Ce7  1  0.750  0.687  0.236  1.0
  P  P8  1  0.750  0.013  0.818  1.0
  P  P9  1  0.250  0.987  0.182  1.0
  P  P10  1  0.750  0.513  0.682  1.0
  P  P11  1  0.250  0.487  0.318  1.0
  P  P12  1  0.250  0.737  0.034  1.0
  P  P13  1  0.750  0.263  0.966  1.0
  P  P14  1  0.250  0.237  0.466  1.0
  P  P15  1  0.750  0.763  0.534  1.0
  O  O16  1  0.250  0.736  0.914  1.0
  O  O17  1  0.750  0.264  0.086  1.0
  O  O18  1  0.250  0.236  0.586  1.0
  O  O19  1  0.750  0.764  0.414  1.0
  O  O20  1  0.487  0.163  0.421  1.0
  O  O21  1  0.987  0.837  0.579  1.0
  O  O22  1  0.013  0.663  0.079  1.0
  O  O23  1  0.513  0.337  0.921  1.0
  O  O24  1  0.513  0.837  0.579  1.0
  O  O25  1  0.013  0.163  0.421  1.0
  O  O26  1  0.987  0.337  0.921  1.0
  O  O27  1  0.487  0.663  0.079  1.0
  O  O28  1  0.750  0.839  0.824  1.0
  O  O29  1  0.250  0.161  0.176  1.0
  O  O30  1  0.750  0.339  0.676  1.0
  O  O31  1  0.250  0.661  0.324  1.0
  O  O32  1  0.750  0.581  0.564  1.0
  O  O33  1  0.250  0.419  0.436  1.0
  O  O34  1  0.750  0.081  0.936  1.0
  O  O35  1  0.250  0.919  0.064  1.0
  O  O36  1  0.493  0.931  0.236  1.0
  O  O37  1  0.993  0.069  0.764  1.0
  O  O38  1  0.007  0.431  0.264  1.0
  O  O39  1  0.507  0.569  0.736  1.0
  O  O40  1  0.507  0.069  0.764  1.0
  O  O41  1  0.007  0.931  0.236  1.0
  O  O42  1  0.993  0.569  0.736  1.0
  O  O43  1  0.493  0.431  0.264  1.0
[/CIF]
.