The material described by Cu3(P3O16)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(12), two equivalent O(5), and two equivalent O(9) atoms to form CuO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with two equivalent P(3)O4 tetrahedra. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one O(10), one O(16), one O(2), and two equivalent O(13) atoms. There are three 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 corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. In the third P site, P(3) is bonded to one O(4), one O(7), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cu(2) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cu(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one P(3) and one O(12) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Cu(2) and one O(11) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one O(10) and one O(14) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one O(8) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to two equivalent Cu(2) and one O(15) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one O(11) atom. In the fifteenth O site, O(15) is bonded in a single-bond geometry to one O(13) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one Cu(2) atom. is represented by the CIF file [CIF]
data_Cu3(P3O16)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.100
_cell_length_b   6.497
_cell_length_c   9.823
_cell_angle_alpha   112.712
_cell_angle_beta   109.501
_cell_angle_gamma   84.963
_symmetry_Int_Tables_number   1
_cell_volume   615.285
_cell_formula_units_Z   1
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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.381  0.538  0.625  1.0
  Cu  Cu2  1  0.619  0.462  0.375  1.0
  P  P3  1  0.221  0.935  0.552  1.0
  P  P4  1  0.779  0.065  0.448  1.0
  P  P5  1  0.194  0.152  0.870  1.0
  P  P6  1  0.806  0.848  0.130  1.0
  P  P7  1  0.058  0.686  0.231  1.0
  P  P8  1  0.942  0.314  0.769  1.0
  O  O9  1  0.240  0.146  0.537  1.0
  O  O10  1  0.760  0.854  0.463  1.0
  O  O11  1  0.326  0.769  0.551  1.0
  O  O12  1  0.674  0.231  0.449  1.0
  O  O13  1  0.171  0.967  0.696  1.0
  O  O14  1  0.829  0.033  0.304  1.0
  O  O15  1  0.091  0.791  0.414  1.0
  O  O16  1  0.909  0.209  0.586  1.0
  O  O17  1  0.850  0.955  0.041  1.0
  O  O18  1  0.150  0.045  0.959  1.0
  O  O19  1  0.673  0.747  0.055  1.0
  O  O20  1  0.327  0.253  0.945  1.0
  O  O21  1  0.093  0.339  0.833  1.0
  O  O22  1  0.907  0.661  0.167  1.0
  O  O23  1  0.105  0.428  0.184  1.0
  O  O24  1  0.895  0.572  0.816  1.0
  O  O25  1  0.879  0.203  0.835  1.0
  O  O26  1  0.121  0.797  0.165  1.0
  O  O27  1  0.290  0.613  0.773  1.0
  O  O28  1  0.710  0.387  0.227  1.0
  O  O29  1  0.377  0.668  0.923  1.0
  O  O30  1  0.623  0.332  0.077  1.0
  O  O31  1  0.026  0.265  0.181  1.0
  O  O32  1  0.974  0.735  0.819  1.0
  O  O33  1  0.614  0.681  0.651  1.0
  O  O34  1  0.386  0.319  0.349  1.0
  O  O35  1  0.331  0.655  0.019  1.0
  O  O36  1  0.669  0.345  0.981  1.0
  O  O37  1  0.634  0.885  0.710  1.0
  O  O38  1  0.366  0.115  0.290  1.0
  O  O39  1  0.522  0.672  0.339  1.0
  O  O40  1  0.478  0.328  0.661  1.0
[/CIF]
.
The material described by Cu3(P3O16)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(12), two equivalent O(5), and two equivalent O(9) atoms to form CuO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with two equivalent P(3)O4 tetrahedra. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one O(10), one O(16), one O(2), and two equivalent O(13) atoms. There are three 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 corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. In the third P site, P(3) is bonded to one O(4), one O(7), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cu(2) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cu(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one P(3) and one O(12) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Cu(2) and one O(11) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one O(10) and one O(14) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one O(8) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to two equivalent Cu(2) and one O(15) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one O(11) atom. In the fifteenth O site, O(15) is bonded in a single-bond geometry to one O(13) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one Cu(2) atom. is represented by the CIF file [CIF]
data_Cu3(P3O16)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.100
_cell_length_b   6.497
_cell_length_c   9.823
_cell_angle_alpha   112.712
_cell_angle_beta   109.501
_cell_angle_gamma   84.963
_symmetry_Int_Tables_number   1
_cell_volume   615.285
_cell_formula_units_Z   1
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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.381  0.538  0.625  1.0
  Cu  Cu2  1  0.619  0.462  0.375  1.0
  P  P3  1  0.221  0.935  0.552  1.0
  P  P4  1  0.779  0.065  0.448  1.0
  P  P5  1  0.194  0.152  0.870  1.0
  P  P6  1  0.806  0.848  0.130  1.0
  P  P7  1  0.058  0.686  0.231  1.0
  P  P8  1  0.942  0.314  0.769  1.0
  O  O9  1  0.240  0.146  0.537  1.0
  O  O10  1  0.760  0.854  0.463  1.0
  O  O11  1  0.326  0.769  0.551  1.0
  O  O12  1  0.674  0.231  0.449  1.0
  O  O13  1  0.171  0.967  0.696  1.0
  O  O14  1  0.829  0.033  0.304  1.0
  O  O15  1  0.091  0.791  0.414  1.0
  O  O16  1  0.909  0.209  0.586  1.0
  O  O17  1  0.850  0.955  0.041  1.0
  O  O18  1  0.150  0.045  0.959  1.0
  O  O19  1  0.673  0.747  0.055  1.0
  O  O20  1  0.327  0.253  0.945  1.0
  O  O21  1  0.093  0.339  0.833  1.0
  O  O22  1  0.907  0.661  0.167  1.0
  O  O23  1  0.105  0.428  0.184  1.0
  O  O24  1  0.895  0.572  0.816  1.0
  O  O25  1  0.879  0.203  0.835  1.0
  O  O26  1  0.121  0.797  0.165  1.0
  O  O27  1  0.290  0.613  0.773  1.0
  O  O28  1  0.710  0.387  0.227  1.0
  O  O29  1  0.377  0.668  0.923  1.0
  O  O30  1  0.623  0.332  0.077  1.0
  O  O31  1  0.026  0.265  0.181  1.0
  O  O32  1  0.974  0.735  0.819  1.0
  O  O33  1  0.614  0.681  0.651  1.0
  O  O34  1  0.386  0.319  0.349  1.0
  O  O35  1  0.331  0.655  0.019  1.0
  O  O36  1  0.669  0.345  0.981  1.0
  O  O37  1  0.634  0.885  0.710  1.0
  O  O38  1  0.366  0.115  0.290  1.0
  O  O39  1  0.522  0.672  0.339  1.0
  O  O40  1  0.478  0.328  0.661  1.0
[/CIF]
.