The material described by Rb2Cu3(P2O7)2 crystallizes in the monoclinic P2_1/c space group. Rb(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), two equivalent O(6), and two equivalent O(7) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(2) and two equivalent O(7) atoms. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), one O(4), and one O(6) 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(5), and one O(7) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted 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 two equivalent Rb(1), one Cu(2), and one P(2) atom. In the third O site, O(7) is bonded in a distorted bent 120 degrees geometry to two equivalent Rb(1), one Cu(1), and one P(1) atom. In the fourth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one Cu(2), and one P(1) atom. In the fifth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one Cu(1), and one P(2) atom. In the sixth O site, O(3) is bonded in a 2-coordinate geometry to one Rb(1), one Cu(2), and one P(1) atom. In the seventh O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one Cu(2), and one P(2) atom. is represented by the CIF file [CIF]
data_Rb2Cu3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.780
_cell_length_b   7.829
_cell_length_c   7.909
_cell_angle_alpha   75.971
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   647.528
_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
  Rb  Rb0  1  0.811  0.261  0.546  1.0
  Rb  Rb1  1  0.311  0.739  0.954  1.0
  Rb  Rb2  1  0.189  0.739  0.454  1.0
  Rb  Rb3  1  0.689  0.261  0.046  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.000  0.500  1.0
  Cu  Cu6  1  0.898  0.729  0.769  1.0
  Cu  Cu7  1  0.398  0.271  0.731  1.0
  Cu  Cu8  1  0.102  0.271  0.231  1.0
  Cu  Cu9  1  0.602  0.729  0.269  1.0
  P  P10  1  0.052  0.382  0.836  1.0
  P  P11  1  0.552  0.618  0.664  1.0
  P  P12  1  0.948  0.618  0.164  1.0
  P  P13  1  0.448  0.382  0.336  1.0
  P  P14  1  0.160  0.121  0.656  1.0
  P  P15  1  0.660  0.879  0.844  1.0
  P  P16  1  0.840  0.879  0.344  1.0
  P  P17  1  0.340  0.121  0.156  1.0
  O  O18  1  0.875  0.583  0.010  1.0
  O  O19  1  0.375  0.417  0.490  1.0
  O  O20  1  0.125  0.417  0.990  1.0
  O  O21  1  0.625  0.583  0.510  1.0
  O  O22  1  0.092  0.977  0.791  1.0
  O  O23  1  0.592  0.023  0.709  1.0
  O  O24  1  0.908  0.023  0.209  1.0
  O  O25  1  0.408  0.977  0.291  1.0
  O  O26  1  0.007  0.552  0.710  1.0
  O  O27  1  0.507  0.448  0.790  1.0
  O  O28  1  0.993  0.448  0.290  1.0
  O  O29  1  0.493  0.552  0.210  1.0
  O  O30  1  0.801  0.917  0.838  1.0
  O  O31  1  0.301  0.083  0.662  1.0
  O  O32  1  0.199  0.083  0.162  1.0
  O  O33  1  0.699  0.917  0.338  1.0
  O  O34  1  0.152  0.307  0.717  1.0
  O  O35  1  0.652  0.693  0.783  1.0
  O  O36  1  0.848  0.693  0.283  1.0
  O  O37  1  0.348  0.307  0.217  1.0
  O  O38  1  0.101  0.144  0.478  1.0
  O  O39  1  0.601  0.856  0.022  1.0
  O  O40  1  0.899  0.856  0.522  1.0
  O  O41  1  0.399  0.144  0.978  1.0
  O  O42  1  0.949  0.242  0.884  1.0
  O  O43  1  0.449  0.758  0.616  1.0
  O  O44  1  0.051  0.758  0.116  1.0
  O  O45  1  0.551  0.242  0.384  1.0
[/CIF]
.
The material described by Rb2Cu3(P2O7)2 crystallizes in the monoclinic P2_1/c space group. Rb(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), two equivalent O(6), and two equivalent O(7) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(2) and two equivalent O(7) atoms. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(3), one O(4), and one O(6) 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(5), and one O(7) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted 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 two equivalent Rb(1), one Cu(2), and one P(2) atom. In the third O site, O(7) is bonded in a distorted bent 120 degrees geometry to two equivalent Rb(1), one Cu(1), and one P(1) atom. In the fourth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one Cu(2), and one P(1) atom. In the fifth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one Cu(1), and one P(2) atom. In the sixth O site, O(3) is bonded in a 2-coordinate geometry to one Rb(1), one Cu(2), and one P(1) atom. In the seventh O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one Cu(2), and one P(2) atom. is represented by the CIF file [CIF]
data_Rb2Cu3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.780
_cell_length_b   7.829
_cell_length_c   7.909
_cell_angle_alpha   75.971
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   647.528
_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
  Rb  Rb0  1  0.811  0.261  0.546  1.0
  Rb  Rb1  1  0.311  0.739  0.954  1.0
  Rb  Rb2  1  0.189  0.739  0.454  1.0
  Rb  Rb3  1  0.689  0.261  0.046  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.000  0.500  1.0
  Cu  Cu6  1  0.898  0.729  0.769  1.0
  Cu  Cu7  1  0.398  0.271  0.731  1.0
  Cu  Cu8  1  0.102  0.271  0.231  1.0
  Cu  Cu9  1  0.602  0.729  0.269  1.0
  P  P10  1  0.052  0.382  0.836  1.0
  P  P11  1  0.552  0.618  0.664  1.0
  P  P12  1  0.948  0.618  0.164  1.0
  P  P13  1  0.448  0.382  0.336  1.0
  P  P14  1  0.160  0.121  0.656  1.0
  P  P15  1  0.660  0.879  0.844  1.0
  P  P16  1  0.840  0.879  0.344  1.0
  P  P17  1  0.340  0.121  0.156  1.0
  O  O18  1  0.875  0.583  0.010  1.0
  O  O19  1  0.375  0.417  0.490  1.0
  O  O20  1  0.125  0.417  0.990  1.0
  O  O21  1  0.625  0.583  0.510  1.0
  O  O22  1  0.092  0.977  0.791  1.0
  O  O23  1  0.592  0.023  0.709  1.0
  O  O24  1  0.908  0.023  0.209  1.0
  O  O25  1  0.408  0.977  0.291  1.0
  O  O26  1  0.007  0.552  0.710  1.0
  O  O27  1  0.507  0.448  0.790  1.0
  O  O28  1  0.993  0.448  0.290  1.0
  O  O29  1  0.493  0.552  0.210  1.0
  O  O30  1  0.801  0.917  0.838  1.0
  O  O31  1  0.301  0.083  0.662  1.0
  O  O32  1  0.199  0.083  0.162  1.0
  O  O33  1  0.699  0.917  0.338  1.0
  O  O34  1  0.152  0.307  0.717  1.0
  O  O35  1  0.652  0.693  0.783  1.0
  O  O36  1  0.848  0.693  0.283  1.0
  O  O37  1  0.348  0.307  0.217  1.0
  O  O38  1  0.101  0.144  0.478  1.0
  O  O39  1  0.601  0.856  0.022  1.0
  O  O40  1  0.899  0.856  0.522  1.0
  O  O41  1  0.399  0.144  0.978  1.0
  O  O42  1  0.949  0.242  0.884  1.0
  O  O43  1  0.449  0.758  0.616  1.0
  O  O44  1  0.051  0.758  0.116  1.0
  O  O45  1  0.551  0.242  0.384  1.0
[/CIF]
.