The structure described by NaCuP2O7 crystallizes in the monoclinic Cc space group. Na(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form distorted NaO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. Cu(1) is bonded in a square co-planar geometry to one O(1), one O(2), one O(6), and one O(7) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O4 tetrahedra and  a cornercorner with one P(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with three equivalent Na(1)O4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Cu(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Na(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Na(1), one Cu(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaCuP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.802
_cell_length_b   8.802
_cell_length_c   8.691
_cell_angle_alpha   67.981
_cell_angle_beta   67.981
_cell_angle_gamma   33.298
_symmetry_Int_Tables_number   1
_cell_volume   340.143
_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  0.150  0.446  0.572  1.0
  Na  Na1  1  0.446  0.150  0.072  1.0
  Cu  Cu2  1  0.501  0.503  0.999  1.0
  Cu  Cu3  1  0.503  0.501  0.499  1.0
  P  P4  1  0.241  0.940  0.687  1.0
  P  P5  1  0.054  0.769  0.810  1.0
  P  P6  1  0.940  0.241  0.187  1.0
  P  P7  1  0.769  0.054  0.310  1.0
  O  O8  1  0.382  0.795  0.849  1.0
  O  O9  1  0.258  0.572  0.946  1.0
  O  O10  1  0.137  0.196  0.625  1.0
  O  O11  1  0.975  0.027  0.749  1.0
  O  O12  1  0.802  0.868  0.875  1.0
  O  O13  1  0.433  0.744  0.551  1.0
  O  O14  1  0.210  0.617  0.652  1.0
  O  O15  1  0.795  0.382  0.349  1.0
  O  O16  1  0.572  0.258  0.446  1.0
  O  O17  1  0.196  0.137  0.125  1.0
  O  O18  1  0.027  0.975  0.249  1.0
  O  O19  1  0.868  0.802  0.375  1.0
  O  O20  1  0.744  0.433  0.051  1.0
  O  O21  1  0.617  0.210  0.152  1.0
[/CIF]
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The structure described by NaCuP2O7 crystallizes in the monoclinic Cc space group. Na(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form distorted NaO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. Cu(1) is bonded in a square co-planar geometry to one O(1), one O(2), one O(6), and one O(7) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O4 tetrahedra and  a cornercorner with one P(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and corners with three equivalent Na(1)O4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Na(1), one Cu(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Na(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Na(1), one Cu(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaCuP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.802
_cell_length_b   8.802
_cell_length_c   8.691
_cell_angle_alpha   67.981
_cell_angle_beta   67.981
_cell_angle_gamma   33.298
_symmetry_Int_Tables_number   1
_cell_volume   340.143
_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  0.150  0.446  0.572  1.0
  Na  Na1  1  0.446  0.150  0.072  1.0
  Cu  Cu2  1  0.501  0.503  0.999  1.0
  Cu  Cu3  1  0.503  0.501  0.499  1.0
  P  P4  1  0.241  0.940  0.687  1.0
  P  P5  1  0.054  0.769  0.810  1.0
  P  P6  1  0.940  0.241  0.187  1.0
  P  P7  1  0.769  0.054  0.310  1.0
  O  O8  1  0.382  0.795  0.849  1.0
  O  O9  1  0.258  0.572  0.946  1.0
  O  O10  1  0.137  0.196  0.625  1.0
  O  O11  1  0.975  0.027  0.749  1.0
  O  O12  1  0.802  0.868  0.875  1.0
  O  O13  1  0.433  0.744  0.551  1.0
  O  O14  1  0.210  0.617  0.652  1.0
  O  O15  1  0.795  0.382  0.349  1.0
  O  O16  1  0.572  0.258  0.446  1.0
  O  O17  1  0.196  0.137  0.125  1.0
  O  O18  1  0.027  0.975  0.249  1.0
  O  O19  1  0.868  0.802  0.375  1.0
  O  O20  1  0.744  0.433  0.051  1.0
  O  O21  1  0.617  0.210  0.152  1.0
[/CIF]
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