The material described by Rb2CuC2O7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 9-coordinate geometry to one O(2), one O(6), two equivalent O(1), two equivalent O(5), and three equivalent O(7) atoms. In the second Rb site, Rb(2) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(7), two equivalent O(1), and two equivalent O(2) atoms. Cu(1) is bonded to one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted corner-sharing CuO5 square pyramids. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(5), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to one Rb(2), two equivalent Cu(1), and one C(1) atom. In the second O site, O(5) is bonded in a distorted bent 120 degrees geometry to two equivalent Rb(1), one Cu(1), and one C(2) atom. In the third O site, O(6) is bonded in a distorted water-like geometry to one Rb(1), one Cu(1), and one C(2) atom. In the fourth O site, O(7) is bonded in a distorted single-bond geometry to one Rb(2), three equivalent Rb(1), and one C(2) atom. In the fifth O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Rb(1) and two equivalent Rb(2) atoms. In the sixth O site, O(2) is bonded in a distorted single-bond geometry to one Rb(1), two equivalent Rb(2), and one C(1) atom. In the seventh O site, O(3) is bonded in a distorted L-shaped geometry to one Rb(2), one Cu(1), and one C(1) atom. is represented by the CIF card [CIF]
data_Rb2CuC2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.976
_cell_length_b   6.663
_cell_length_c   7.974
_cell_angle_alpha   87.872
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   795.146
_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
  Rb  Rb0  1  0.396  0.734  0.917  1.0
  Rb  Rb1  1  0.896  0.766  0.083  1.0
  Rb  Rb2  1  0.604  0.266  0.083  1.0
  Rb  Rb3  1  0.104  0.234  0.917  1.0
  Rb  Rb4  1  0.400  0.245  0.592  1.0
  Rb  Rb5  1  0.900  0.255  0.408  1.0
  Rb  Rb6  1  0.600  0.755  0.408  1.0
  Rb  Rb7  1  0.100  0.745  0.592  1.0
  Cu  Cu8  1  0.765  0.571  0.752  1.0
  Cu  Cu9  1  0.265  0.929  0.248  1.0
  Cu  Cu10  1  0.235  0.429  0.248  1.0
  Cu  Cu11  1  0.735  0.071  0.752  1.0
  C  C12  1  0.862  0.737  0.554  1.0
  C  C13  1  0.362  0.763  0.446  1.0
  C  C14  1  0.138  0.263  0.446  1.0
  C  C15  1  0.638  0.237  0.554  1.0
  C  C16  1  0.856  0.263  0.940  1.0
  C  C17  1  0.356  0.237  0.060  1.0
  C  C18  1  0.144  0.737  0.060  1.0
  C  C19  1  0.644  0.763  0.940  1.0
  O  O20  1  0.256  0.969  0.744  1.0
  O  O21  1  0.756  0.531  0.256  1.0
  O  O22  1  0.744  0.031  0.256  1.0
  O  O23  1  0.244  0.469  0.744  1.0
  O  O24  1  0.085  0.180  0.547  1.0
  O  O25  1  0.585  0.320  0.453  1.0
  O  O26  1  0.915  0.820  0.453  1.0
  O  O27  1  0.415  0.680  0.547  1.0
  O  O28  1  0.884  0.584  0.657  1.0
  O  O29  1  0.384  0.916  0.343  1.0
  O  O30  1  0.116  0.416  0.343  1.0
  O  O31  1  0.616  0.084  0.657  1.0
  O  O32  1  0.777  0.789  0.576  1.0
  O  O33  1  0.277  0.711  0.424  1.0
  O  O34  1  0.223  0.211  0.424  1.0
  O  O35  1  0.723  0.289  0.576  1.0
  O  O36  1  0.788  0.389  0.943  1.0
  O  O37  1  0.288  0.111  0.057  1.0
  O  O38  1  0.212  0.611  0.057  1.0
  O  O39  1  0.712  0.889  0.943  1.0
  O  O40  1  0.854  0.119  0.831  1.0
  O  O41  1  0.354  0.381  0.169  1.0
  O  O42  1  0.146  0.881  0.169  1.0
  O  O43  1  0.646  0.619  0.831  1.0
  O  O44  1  0.421  0.223  0.961  1.0
  O  O45  1  0.921  0.277  0.039  1.0
  O  O46  1  0.579  0.777  0.039  1.0
  O  O47  1  0.079  0.723  0.961  1.0
[/CIF]
.
The material described by Rb2CuC2O7 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 9-coordinate geometry to one O(2), one O(6), two equivalent O(1), two equivalent O(5), and three equivalent O(7) atoms. In the second Rb site, Rb(2) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(7), two equivalent O(1), and two equivalent O(2) atoms. Cu(1) is bonded to one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted corner-sharing CuO5 square pyramids. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(5), one O(6), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to one Rb(2), two equivalent Cu(1), and one C(1) atom. In the second O site, O(5) is bonded in a distorted bent 120 degrees geometry to two equivalent Rb(1), one Cu(1), and one C(2) atom. In the third O site, O(6) is bonded in a distorted water-like geometry to one Rb(1), one Cu(1), and one C(2) atom. In the fourth O site, O(7) is bonded in a distorted single-bond geometry to one Rb(2), three equivalent Rb(1), and one C(2) atom. In the fifth O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Rb(1) and two equivalent Rb(2) atoms. In the sixth O site, O(2) is bonded in a distorted single-bond geometry to one Rb(1), two equivalent Rb(2), and one C(1) atom. In the seventh O site, O(3) is bonded in a distorted L-shaped geometry to one Rb(2), one Cu(1), and one C(1) atom. is represented by the CIF card [CIF]
data_Rb2CuC2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.976
_cell_length_b   6.663
_cell_length_c   7.974
_cell_angle_alpha   87.872
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   795.146
_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
  Rb  Rb0  1  0.396  0.734  0.917  1.0
  Rb  Rb1  1  0.896  0.766  0.083  1.0
  Rb  Rb2  1  0.604  0.266  0.083  1.0
  Rb  Rb3  1  0.104  0.234  0.917  1.0
  Rb  Rb4  1  0.400  0.245  0.592  1.0
  Rb  Rb5  1  0.900  0.255  0.408  1.0
  Rb  Rb6  1  0.600  0.755  0.408  1.0
  Rb  Rb7  1  0.100  0.745  0.592  1.0
  Cu  Cu8  1  0.765  0.571  0.752  1.0
  Cu  Cu9  1  0.265  0.929  0.248  1.0
  Cu  Cu10  1  0.235  0.429  0.248  1.0
  Cu  Cu11  1  0.735  0.071  0.752  1.0
  C  C12  1  0.862  0.737  0.554  1.0
  C  C13  1  0.362  0.763  0.446  1.0
  C  C14  1  0.138  0.263  0.446  1.0
  C  C15  1  0.638  0.237  0.554  1.0
  C  C16  1  0.856  0.263  0.940  1.0
  C  C17  1  0.356  0.237  0.060  1.0
  C  C18  1  0.144  0.737  0.060  1.0
  C  C19  1  0.644  0.763  0.940  1.0
  O  O20  1  0.256  0.969  0.744  1.0
  O  O21  1  0.756  0.531  0.256  1.0
  O  O22  1  0.744  0.031  0.256  1.0
  O  O23  1  0.244  0.469  0.744  1.0
  O  O24  1  0.085  0.180  0.547  1.0
  O  O25  1  0.585  0.320  0.453  1.0
  O  O26  1  0.915  0.820  0.453  1.0
  O  O27  1  0.415  0.680  0.547  1.0
  O  O28  1  0.884  0.584  0.657  1.0
  O  O29  1  0.384  0.916  0.343  1.0
  O  O30  1  0.116  0.416  0.343  1.0
  O  O31  1  0.616  0.084  0.657  1.0
  O  O32  1  0.777  0.789  0.576  1.0
  O  O33  1  0.277  0.711  0.424  1.0
  O  O34  1  0.223  0.211  0.424  1.0
  O  O35  1  0.723  0.289  0.576  1.0
  O  O36  1  0.788  0.389  0.943  1.0
  O  O37  1  0.288  0.111  0.057  1.0
  O  O38  1  0.212  0.611  0.057  1.0
  O  O39  1  0.712  0.889  0.943  1.0
  O  O40  1  0.854  0.119  0.831  1.0
  O  O41  1  0.354  0.381  0.169  1.0
  O  O42  1  0.146  0.881  0.169  1.0
  O  O43  1  0.646  0.619  0.831  1.0
  O  O44  1  0.421  0.223  0.961  1.0
  O  O45  1  0.921  0.277  0.039  1.0
  O  O46  1  0.579  0.777  0.039  1.0
  O  O47  1  0.079  0.723  0.961  1.0
[/CIF]
.