The structure described by NaScP2O7 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 9-coordinate geometry to one O(6), one O(7), two equivalent O(1), two equivalent O(2), and three equivalent O(4) atoms. Sc(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form ScO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, 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 three equivalent Sc(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-45°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent Sc(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 10-49°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Sc(1), and one P(1) atom. In the third O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Sc(1), and one P(1) atom. In the fourth O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Sc(1), and one P(2) atom. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Sc(1), and one P(2) atom. In the sixth O site, O(3) is bonded in a linear geometry to one Sc(1) and one P(2) atom. In the seventh O site, O(4) is bonded in a 1-coordinate geometry to three equivalent Na(1), one Sc(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaScP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.363
_cell_length_b   8.968
_cell_length_c   13.566
_cell_angle_alpha   64.192
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   587.358
_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  0.731  0.451  0.690  1.0
  Na  Na1  1  0.769  0.451  0.190  1.0
  Na  Na2  1  0.269  0.549  0.310  1.0
  Na  Na3  1  0.231  0.549  0.810  1.0
  Sc  Sc4  1  0.762  0.260  0.973  1.0
  Sc  Sc5  1  0.738  0.260  0.473  1.0
  Sc  Sc6  1  0.238  0.740  0.027  1.0
  Sc  Sc7  1  0.262  0.740  0.527  1.0
  P  P8  1  0.724  0.681  0.884  1.0
  P  P9  1  0.776  0.681  0.384  1.0
  P  P10  1  0.276  0.319  0.116  1.0
  P  P11  1  0.224  0.319  0.616  1.0
  P  P12  1  0.754  0.832  0.147  1.0
  P  P13  1  0.746  0.832  0.647  1.0
  P  P14  1  0.246  0.168  0.853  1.0
  P  P15  1  0.254  0.168  0.353  1.0
  O  O16  1  0.995  0.255  0.847  1.0
  O  O17  1  0.505  0.255  0.347  1.0
  O  O18  1  0.005  0.745  0.153  1.0
  O  O19  1  0.495  0.745  0.653  1.0
  O  O20  1  0.462  0.272  0.865  1.0
  O  O21  1  0.038  0.272  0.365  1.0
  O  O22  1  0.538  0.728  0.135  1.0
  O  O23  1  0.962  0.728  0.635  1.0
  O  O24  1  0.746  0.011  0.064  1.0
  O  O25  1  0.754  0.011  0.564  1.0
  O  O26  1  0.254  0.989  0.936  1.0
  O  O27  1  0.246  0.989  0.436  1.0
  O  O28  1  0.773  0.524  0.867  1.0
  O  O29  1  0.727  0.524  0.367  1.0
  O  O30  1  0.227  0.476  0.133  1.0
  O  O31  1  0.273  0.476  0.633  1.0
  O  O32  1  0.719  0.835  0.265  1.0
  O  O33  1  0.781  0.835  0.765  1.0
  O  O34  1  0.281  0.165  0.735  1.0
  O  O35  1  0.219  0.165  0.235  1.0
  O  O36  1  0.905  0.702  0.962  1.0
  O  O37  1  0.595  0.702  0.462  1.0
  O  O38  1  0.095  0.298  0.038  1.0
  O  O39  1  0.405  0.298  0.538  1.0
  O  O40  1  0.450  0.691  0.912  1.0
  O  O41  1  0.050  0.691  0.412  1.0
  O  O42  1  0.550  0.309  0.088  1.0
  O  O43  1  0.950  0.309  0.588  1.0
[/CIF]
.
The structure described by NaScP2O7 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 9-coordinate geometry to one O(6), one O(7), two equivalent O(1), two equivalent O(2), and three equivalent O(4) atoms. Sc(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form ScO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, 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 three equivalent Sc(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-45°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent Sc(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 10-49°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Sc(1), and one P(1) atom. In the third O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Sc(1), and one P(1) atom. In the fourth O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Sc(1), and one P(2) atom. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Sc(1), and one P(2) atom. In the sixth O site, O(3) is bonded in a linear geometry to one Sc(1) and one P(2) atom. In the seventh O site, O(4) is bonded in a 1-coordinate geometry to three equivalent Na(1), one Sc(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaScP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.363
_cell_length_b   8.968
_cell_length_c   13.566
_cell_angle_alpha   64.192
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   587.358
_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  0.731  0.451  0.690  1.0
  Na  Na1  1  0.769  0.451  0.190  1.0
  Na  Na2  1  0.269  0.549  0.310  1.0
  Na  Na3  1  0.231  0.549  0.810  1.0
  Sc  Sc4  1  0.762  0.260  0.973  1.0
  Sc  Sc5  1  0.738  0.260  0.473  1.0
  Sc  Sc6  1  0.238  0.740  0.027  1.0
  Sc  Sc7  1  0.262  0.740  0.527  1.0
  P  P8  1  0.724  0.681  0.884  1.0
  P  P9  1  0.776  0.681  0.384  1.0
  P  P10  1  0.276  0.319  0.116  1.0
  P  P11  1  0.224  0.319  0.616  1.0
  P  P12  1  0.754  0.832  0.147  1.0
  P  P13  1  0.746  0.832  0.647  1.0
  P  P14  1  0.246  0.168  0.853  1.0
  P  P15  1  0.254  0.168  0.353  1.0
  O  O16  1  0.995  0.255  0.847  1.0
  O  O17  1  0.505  0.255  0.347  1.0
  O  O18  1  0.005  0.745  0.153  1.0
  O  O19  1  0.495  0.745  0.653  1.0
  O  O20  1  0.462  0.272  0.865  1.0
  O  O21  1  0.038  0.272  0.365  1.0
  O  O22  1  0.538  0.728  0.135  1.0
  O  O23  1  0.962  0.728  0.635  1.0
  O  O24  1  0.746  0.011  0.064  1.0
  O  O25  1  0.754  0.011  0.564  1.0
  O  O26  1  0.254  0.989  0.936  1.0
  O  O27  1  0.246  0.989  0.436  1.0
  O  O28  1  0.773  0.524  0.867  1.0
  O  O29  1  0.727  0.524  0.367  1.0
  O  O30  1  0.227  0.476  0.133  1.0
  O  O31  1  0.273  0.476  0.633  1.0
  O  O32  1  0.719  0.835  0.265  1.0
  O  O33  1  0.781  0.835  0.765  1.0
  O  O34  1  0.281  0.165  0.735  1.0
  O  O35  1  0.219  0.165  0.235  1.0
  O  O36  1  0.905  0.702  0.962  1.0
  O  O37  1  0.595  0.702  0.462  1.0
  O  O38  1  0.095  0.298  0.038  1.0
  O  O39  1  0.405  0.298  0.538  1.0
  O  O40  1  0.450  0.691  0.912  1.0
  O  O41  1  0.050  0.691  0.412  1.0
  O  O42  1  0.550  0.309  0.088  1.0
  O  O43  1  0.950  0.309  0.588  1.0
[/CIF]
.