The structure described by NaLaP2O7 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. La(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(4), and four equivalent O(3) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(5), and two equivalent O(3) atoms to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(5), and two equivalent O(4) atoms to form corner-sharing PO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Na(1), two equivalent La(1), and one P(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Na(1), one La(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Na(1), two equivalent La(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Na(1), one La(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLaP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.363
_cell_length_b   8.757
_cell_length_c   12.822
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   602.123
_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  0.879  0.921  1.0
  Na  Na1  1  0.250  0.621  0.421  1.0
  Na  Na2  1  0.250  0.121  0.079  1.0
  Na  Na3  1  0.750  0.379  0.579  1.0
  La  La4  1  0.750  0.317  0.264  1.0
  La  La5  1  0.750  0.817  0.236  1.0
  La  La6  1  0.250  0.683  0.736  1.0
  La  La7  1  0.250  0.183  0.764  1.0
  P  P8  1  0.750  0.983  0.681  1.0
  P  P9  1  0.250  0.017  0.319  1.0
  P  P10  1  0.750  0.234  0.967  1.0
  P  P11  1  0.250  0.266  0.467  1.0
  P  P12  1  0.750  0.483  0.819  1.0
  P  P13  1  0.250  0.766  0.033  1.0
  P  P14  1  0.750  0.734  0.533  1.0
  P  P15  1  0.250  0.517  0.181  1.0
  O  O16  1  0.250  0.344  0.175  1.0
  O  O17  1  0.250  0.768  0.915  1.0
  O  O18  1  0.750  0.656  0.825  1.0
  O  O19  1  0.508  0.428  0.765  1.0
  O  O20  1  0.492  0.572  0.235  1.0
  O  O21  1  0.492  0.072  0.265  1.0
  O  O22  1  0.014  0.340  0.421  1.0
  O  O23  1  0.992  0.428  0.765  1.0
  O  O24  1  0.992  0.928  0.735  1.0
  O  O25  1  0.508  0.928  0.735  1.0
  O  O26  1  0.750  0.156  0.675  1.0
  O  O27  1  0.486  0.840  0.079  1.0
  O  O28  1  0.486  0.340  0.421  1.0
  O  O29  1  0.750  0.415  0.936  1.0
  O  O30  1  0.986  0.160  0.921  1.0
  O  O31  1  0.250  0.085  0.436  1.0
  O  O32  1  0.514  0.660  0.579  1.0
  O  O33  1  0.750  0.915  0.564  1.0
  O  O34  1  0.008  0.572  0.235  1.0
  O  O35  1  0.986  0.660  0.579  1.0
  O  O36  1  0.750  0.232  0.085  1.0
  O  O37  1  0.014  0.840  0.079  1.0
  O  O38  1  0.250  0.585  0.064  1.0
  O  O39  1  0.250  0.268  0.585  1.0
  O  O40  1  0.250  0.844  0.325  1.0
  O  O41  1  0.008  0.072  0.265  1.0
  O  O42  1  0.750  0.732  0.415  1.0
  O  O43  1  0.514  0.160  0.921  1.0
[/CIF]
.
The structure described by NaLaP2O7 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. La(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(4), and four equivalent O(3) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(5), and two equivalent O(3) atoms to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(5), and two equivalent O(4) atoms to form corner-sharing PO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Na(1), two equivalent La(1), and one P(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Na(1), one La(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Na(1), two equivalent La(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Na(1), one La(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLaP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.363
_cell_length_b   8.757
_cell_length_c   12.822
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   602.123
_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  0.879  0.921  1.0
  Na  Na1  1  0.250  0.621  0.421  1.0
  Na  Na2  1  0.250  0.121  0.079  1.0
  Na  Na3  1  0.750  0.379  0.579  1.0
  La  La4  1  0.750  0.317  0.264  1.0
  La  La5  1  0.750  0.817  0.236  1.0
  La  La6  1  0.250  0.683  0.736  1.0
  La  La7  1  0.250  0.183  0.764  1.0
  P  P8  1  0.750  0.983  0.681  1.0
  P  P9  1  0.250  0.017  0.319  1.0
  P  P10  1  0.750  0.234  0.967  1.0
  P  P11  1  0.250  0.266  0.467  1.0
  P  P12  1  0.750  0.483  0.819  1.0
  P  P13  1  0.250  0.766  0.033  1.0
  P  P14  1  0.750  0.734  0.533  1.0
  P  P15  1  0.250  0.517  0.181  1.0
  O  O16  1  0.250  0.344  0.175  1.0
  O  O17  1  0.250  0.768  0.915  1.0
  O  O18  1  0.750  0.656  0.825  1.0
  O  O19  1  0.508  0.428  0.765  1.0
  O  O20  1  0.492  0.572  0.235  1.0
  O  O21  1  0.492  0.072  0.265  1.0
  O  O22  1  0.014  0.340  0.421  1.0
  O  O23  1  0.992  0.428  0.765  1.0
  O  O24  1  0.992  0.928  0.735  1.0
  O  O25  1  0.508  0.928  0.735  1.0
  O  O26  1  0.750  0.156  0.675  1.0
  O  O27  1  0.486  0.840  0.079  1.0
  O  O28  1  0.486  0.340  0.421  1.0
  O  O29  1  0.750  0.415  0.936  1.0
  O  O30  1  0.986  0.160  0.921  1.0
  O  O31  1  0.250  0.085  0.436  1.0
  O  O32  1  0.514  0.660  0.579  1.0
  O  O33  1  0.750  0.915  0.564  1.0
  O  O34  1  0.008  0.572  0.235  1.0
  O  O35  1  0.986  0.660  0.579  1.0
  O  O36  1  0.750  0.232  0.085  1.0
  O  O37  1  0.014  0.840  0.079  1.0
  O  O38  1  0.250  0.585  0.064  1.0
  O  O39  1  0.250  0.268  0.585  1.0
  O  O40  1  0.250  0.844  0.325  1.0
  O  O41  1  0.008  0.072  0.265  1.0
  O  O42  1  0.750  0.732  0.415  1.0
  O  O43  1  0.514  0.160  0.921  1.0
[/CIF]
.