The structure described by NaCuP2O7 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms. Cu(1) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CuO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with three equivalent Cu(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent Cu(1)O5 trigonal bipyramids. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Cu(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Cu(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Na(1), one Cu(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Cu(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to two equivalent Na(1) and one P(2) atom. is represented by the CIF card [CIF]
data_NaCuP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.807
_cell_length_b   4.972
_cell_length_c   10.006
_cell_angle_alpha   62.431
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   608.847
_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  0.620  0.084  0.636  1.0
  Na  Na1  1  0.120  0.916  0.864  1.0
  Na  Na2  1  0.880  0.084  0.136  1.0
  Na  Na3  1  0.380  0.916  0.364  1.0
  Cu  Cu4  1  0.841  0.061  0.738  1.0
  Cu  Cu5  1  0.341  0.939  0.762  1.0
  Cu  Cu6  1  0.659  0.061  0.238  1.0
  Cu  Cu7  1  0.159  0.939  0.262  1.0
  P  P8  1  0.821  0.728  0.544  1.0
  P  P9  1  0.463  0.478  0.733  1.0
  P  P10  1  0.963  0.522  0.767  1.0
  P  P11  1  0.321  0.272  0.956  1.0
  P  P12  1  0.679  0.728  0.044  1.0
  P  P13  1  0.037  0.478  0.233  1.0
  P  P14  1  0.537  0.522  0.267  1.0
  P  P15  1  0.179  0.272  0.456  1.0
  O  O16  1  0.936  0.674  0.587  1.0
  O  O17  1  0.775  0.408  0.595  1.0
  O  O18  1  0.779  0.851  0.649  1.0
  O  O19  1  0.191  0.073  0.622  1.0
  O  O20  1  0.387  0.740  0.655  1.0
  O  O21  1  0.441  0.231  0.680  1.0
  O  O22  1  0.566  0.568  0.708  1.0
  O  O23  1  0.066  0.432  0.792  1.0
  O  O24  1  0.941  0.769  0.820  1.0
  O  O25  1  0.887  0.260  0.845  1.0
  O  O26  1  0.279  0.149  0.851  1.0
  O  O27  1  0.691  0.927  0.878  1.0
  O  O28  1  0.275  0.592  0.905  1.0
  O  O29  1  0.436  0.326  0.913  1.0
  O  O30  1  0.564  0.674  0.087  1.0
  O  O31  1  0.725  0.408  0.095  1.0
  O  O32  1  0.309  0.073  0.122  1.0
  O  O33  1  0.721  0.851  0.149  1.0
  O  O34  1  0.113  0.740  0.155  1.0
  O  O35  1  0.059  0.231  0.180  1.0
  O  O36  1  0.934  0.568  0.208  1.0
  O  O37  1  0.434  0.432  0.292  1.0
  O  O38  1  0.559  0.769  0.320  1.0
  O  O39  1  0.613  0.260  0.345  1.0
  O  O40  1  0.809  0.927  0.378  1.0
  O  O41  1  0.221  0.149  0.351  1.0
  O  O42  1  0.225  0.592  0.405  1.0
  O  O43  1  0.064  0.326  0.413  1.0
[/CIF]
.
The structure described by NaCuP2O7 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms. Cu(1) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CuO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with three equivalent Cu(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with two equivalent Cu(1)O5 trigonal bipyramids. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Cu(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Cu(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Na(1), one Cu(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Cu(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to two equivalent Na(1) and one P(2) atom. is represented by the CIF card [CIF]
data_NaCuP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.807
_cell_length_b   4.972
_cell_length_c   10.006
_cell_angle_alpha   62.431
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   608.847
_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  0.620  0.084  0.636  1.0
  Na  Na1  1  0.120  0.916  0.864  1.0
  Na  Na2  1  0.880  0.084  0.136  1.0
  Na  Na3  1  0.380  0.916  0.364  1.0
  Cu  Cu4  1  0.841  0.061  0.738  1.0
  Cu  Cu5  1  0.341  0.939  0.762  1.0
  Cu  Cu6  1  0.659  0.061  0.238  1.0
  Cu  Cu7  1  0.159  0.939  0.262  1.0
  P  P8  1  0.821  0.728  0.544  1.0
  P  P9  1  0.463  0.478  0.733  1.0
  P  P10  1  0.963  0.522  0.767  1.0
  P  P11  1  0.321  0.272  0.956  1.0
  P  P12  1  0.679  0.728  0.044  1.0
  P  P13  1  0.037  0.478  0.233  1.0
  P  P14  1  0.537  0.522  0.267  1.0
  P  P15  1  0.179  0.272  0.456  1.0
  O  O16  1  0.936  0.674  0.587  1.0
  O  O17  1  0.775  0.408  0.595  1.0
  O  O18  1  0.779  0.851  0.649  1.0
  O  O19  1  0.191  0.073  0.622  1.0
  O  O20  1  0.387  0.740  0.655  1.0
  O  O21  1  0.441  0.231  0.680  1.0
  O  O22  1  0.566  0.568  0.708  1.0
  O  O23  1  0.066  0.432  0.792  1.0
  O  O24  1  0.941  0.769  0.820  1.0
  O  O25  1  0.887  0.260  0.845  1.0
  O  O26  1  0.279  0.149  0.851  1.0
  O  O27  1  0.691  0.927  0.878  1.0
  O  O28  1  0.275  0.592  0.905  1.0
  O  O29  1  0.436  0.326  0.913  1.0
  O  O30  1  0.564  0.674  0.087  1.0
  O  O31  1  0.725  0.408  0.095  1.0
  O  O32  1  0.309  0.073  0.122  1.0
  O  O33  1  0.721  0.851  0.149  1.0
  O  O34  1  0.113  0.740  0.155  1.0
  O  O35  1  0.059  0.231  0.180  1.0
  O  O36  1  0.934  0.568  0.208  1.0
  O  O37  1  0.434  0.432  0.292  1.0
  O  O38  1  0.559  0.769  0.320  1.0
  O  O39  1  0.613  0.260  0.345  1.0
  O  O40  1  0.809  0.927  0.378  1.0
  O  O41  1  0.221  0.149  0.351  1.0
  O  O42  1  0.225  0.592  0.405  1.0
  O  O43  1  0.064  0.326  0.413  1.0
[/CIF]
.