The crystal structure described by Rb2CuP4(HO2)8 crystallizes in the triclinic P-1 space group. Rb(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), one O(8), and two equivalent O(5) atoms. Cu(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(8) atoms to form CuO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)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 Cu(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the second P site, P(2) is bonded to one O(4), 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 and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(2) and one O(6) atom. In the second H site, H(2) is bonded in a linear geometry to one O(3) and one O(7) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(8) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Rb(1), one Cu(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one P(1), and one H(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Rb(1), one P(1), and one H(2) 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 2-coordinate geometry to two equivalent Rb(1), one Cu(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Rb(1), one P(2), and one H(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one P(2), and one H(2) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Rb(1), one Cu(1), one H(3), and one H(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2CuP4(HO2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.027
_cell_length_b   7.609
_cell_length_c   7.921
_cell_angle_alpha   84.994
_cell_angle_beta   72.952
_cell_angle_gamma   85.313
_symmetry_Int_Tables_number   1
_cell_volume   402.640
_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
  Rb  Rb0  1  0.390  0.278  0.222  1.0
  Rb  Rb1  1  0.610  0.722  0.778  1.0
  Cu  Cu2  1  0.000  0.500  0.000  1.0
  P  P3  1  0.753  0.807  0.239  1.0
  P  P4  1  0.247  0.193  0.761  1.0
  P  P5  1  0.167  0.736  0.236  1.0
  P  P6  1  0.833  0.264  0.764  1.0
  H  H7  1  0.446  0.736  0.390  1.0
  H  H8  1  0.554  0.264  0.610  1.0
  H  H9  1  0.239  0.959  0.032  1.0
  H  H10  1  0.761  0.041  0.968  1.0
  H  H11  1  0.874  0.306  0.378  1.0
  H  H12  1  0.126  0.694  0.622  1.0
  H  H13  1  0.889  0.182  0.225  1.0
  H  H14  1  0.111  0.818  0.775  1.0
  O  O15  1  0.768  0.663  0.113  1.0
  O  O16  1  0.232  0.337  0.887  1.0
  O  O17  1  0.572  0.783  0.410  1.0
  O  O18  1  0.428  0.217  0.590  1.0
  O  O19  1  0.758  0.995  0.157  1.0
  O  O20  1  0.242  0.005  0.843  1.0
  O  O21  1  0.932  0.775  0.332  1.0
  O  O22  1  0.068  0.225  0.668  1.0
  O  O23  1  0.193  0.614  0.088  1.0
  O  O24  1  0.807  0.386  0.912  1.0
  O  O25  1  0.257  0.666  0.383  1.0
  O  O26  1  0.743  0.334  0.617  1.0
  O  O27  1  0.254  0.920  0.157  1.0
  O  O28  1  0.746  0.080  0.843  1.0
  O  O29  1  0.948  0.284  0.255  1.0
  O  O30  1  0.052  0.716  0.745  1.0
[/CIF]
.
The crystal structure described by Rb2CuP4(HO2)8 crystallizes in the triclinic P-1 space group. Rb(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), one O(8), and two equivalent O(5) atoms. Cu(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(8) atoms to form CuO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)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 Cu(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the second P site, P(2) is bonded to one O(4), 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 and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(2) and one O(6) atom. In the second H site, H(2) is bonded in a linear geometry to one O(3) and one O(7) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(8) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Rb(1), one Cu(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one P(1), and one H(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Rb(1), one P(1), and one H(2) 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 2-coordinate geometry to two equivalent Rb(1), one Cu(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Rb(1), one P(2), and one H(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one P(2), and one H(2) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Rb(1), one Cu(1), one H(3), and one H(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2CuP4(HO2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.027
_cell_length_b   7.609
_cell_length_c   7.921
_cell_angle_alpha   84.994
_cell_angle_beta   72.952
_cell_angle_gamma   85.313
_symmetry_Int_Tables_number   1
_cell_volume   402.640
_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
  Rb  Rb0  1  0.390  0.278  0.222  1.0
  Rb  Rb1  1  0.610  0.722  0.778  1.0
  Cu  Cu2  1  0.000  0.500  0.000  1.0
  P  P3  1  0.753  0.807  0.239  1.0
  P  P4  1  0.247  0.193  0.761  1.0
  P  P5  1  0.167  0.736  0.236  1.0
  P  P6  1  0.833  0.264  0.764  1.0
  H  H7  1  0.446  0.736  0.390  1.0
  H  H8  1  0.554  0.264  0.610  1.0
  H  H9  1  0.239  0.959  0.032  1.0
  H  H10  1  0.761  0.041  0.968  1.0
  H  H11  1  0.874  0.306  0.378  1.0
  H  H12  1  0.126  0.694  0.622  1.0
  H  H13  1  0.889  0.182  0.225  1.0
  H  H14  1  0.111  0.818  0.775  1.0
  O  O15  1  0.768  0.663  0.113  1.0
  O  O16  1  0.232  0.337  0.887  1.0
  O  O17  1  0.572  0.783  0.410  1.0
  O  O18  1  0.428  0.217  0.590  1.0
  O  O19  1  0.758  0.995  0.157  1.0
  O  O20  1  0.242  0.005  0.843  1.0
  O  O21  1  0.932  0.775  0.332  1.0
  O  O22  1  0.068  0.225  0.668  1.0
  O  O23  1  0.193  0.614  0.088  1.0
  O  O24  1  0.807  0.386  0.912  1.0
  O  O25  1  0.257  0.666  0.383  1.0
  O  O26  1  0.743  0.334  0.617  1.0
  O  O27  1  0.254  0.920  0.157  1.0
  O  O28  1  0.746  0.080  0.843  1.0
  O  O29  1  0.948  0.284  0.255  1.0
  O  O30  1  0.052  0.716  0.745  1.0
[/CIF]
.