The material structure described by RbLiCu2H3(SO5)2 crystallizes in the triclinic P1 space group. Rb(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(7), one O(8), two equivalent O(10), and two equivalent O(9) atoms. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(4), and one O(9) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted CuO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra and corners with two equivalent S(2)O4 tetrahedra. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and one O(8) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) atom. In the third H site, H(3) is bonded in a linear geometry to one O(5) and one O(6) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(2), one O(7), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-43°. In the second S site, S(2) is bonded to one O(10), one O(3), one O(4), and one O(8) atom to form SO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-60°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Cu(2), and one S(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Rb(1), one Cu(1), and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Rb(1), one Cu(2), and one S(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Cu(1), one Cu(2), one H(1), and one H(3) atom. In the sixth O site, O(6) is bonded in a distorted tetrahedral geometry to one Cu(1), one Cu(2), one H(2), and one H(3) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Rb(1), one Cu(1), and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Rb(1), one Cu(1), one Cu(2), and one S(2) atom. In the ninth O site, O(9) is bonded in a distorted L-shaped geometry to two equivalent Rb(1), one Li(1), and one S(1) atom. In the tenth O site, O(10) is bonded in a distorted L-shaped geometry to two equivalent Rb(1), one Li(1), and one S(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbLiCu2H3(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.683
_cell_length_b   5.678
_cell_length_c   8.336
_cell_angle_alpha   71.324
_cell_angle_beta   80.826
_cell_angle_gamma   107.201
_symmetry_Int_Tables_number   1
_cell_volume   233.628
_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  0.404  0.905  0.500  1.0
  Li  Li1  1  0.868  0.368  0.498  1.0
  Cu  Cu2  1  0.002  0.480  0.018  1.0
  Cu  Cu3  1  0.504  0.001  0.987  1.0
  H  H4  1  0.714  0.510  0.815  1.0
  H  H5  1  0.331  0.528  0.180  1.0
  H  H6  1  0.521  0.492  0.992  1.0
  S  S7  1  0.075  0.200  0.727  1.0
  S  S8  1  0.928  0.806  0.271  1.0
  O  O9  1  0.786  0.110  0.750  1.0
  O  O10  1  0.154  0.406  0.803  1.0
  O  O11  1  0.209  0.960  0.196  1.0
  O  O12  1  0.856  0.540  0.248  1.0
  O  O13  1  0.657  0.411  0.943  1.0
  O  O14  1  0.356  0.602  0.053  1.0
  O  O15  1  0.150  0.972  0.807  1.0
  O  O16  1  0.780  0.964  0.192  1.0
  O  O17  1  0.193  0.331  0.531  1.0
  O  O18  1  0.860  0.726  0.468  1.0
[/CIF]
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The material structure described by RbLiCu2H3(SO5)2 crystallizes in the triclinic P1 space group. Rb(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(7), one O(8), two equivalent O(10), and two equivalent O(9) atoms. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(4), and one O(9) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted CuO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra and corners with two equivalent S(2)O4 tetrahedra. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and one O(8) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) atom. In the third H site, H(3) is bonded in a linear geometry to one O(5) and one O(6) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(2), one O(7), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-43°. In the second S site, S(2) is bonded to one O(10), one O(3), one O(4), and one O(8) atom to form SO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-60°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Cu(2), and one S(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Rb(1), one Cu(1), and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Rb(1), one Cu(2), and one S(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Cu(1), one Cu(2), one H(1), and one H(3) atom. In the sixth O site, O(6) is bonded in a distorted tetrahedral geometry to one Cu(1), one Cu(2), one H(2), and one H(3) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Rb(1), one Cu(1), and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Rb(1), one Cu(1), one Cu(2), and one S(2) atom. In the ninth O site, O(9) is bonded in a distorted L-shaped geometry to two equivalent Rb(1), one Li(1), and one S(1) atom. In the tenth O site, O(10) is bonded in a distorted L-shaped geometry to two equivalent Rb(1), one Li(1), and one S(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbLiCu2H3(SO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.683
_cell_length_b   5.678
_cell_length_c   8.336
_cell_angle_alpha   71.324
_cell_angle_beta   80.826
_cell_angle_gamma   107.201
_symmetry_Int_Tables_number   1
_cell_volume   233.628
_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  0.404  0.905  0.500  1.0
  Li  Li1  1  0.868  0.368  0.498  1.0
  Cu  Cu2  1  0.002  0.480  0.018  1.0
  Cu  Cu3  1  0.504  0.001  0.987  1.0
  H  H4  1  0.714  0.510  0.815  1.0
  H  H5  1  0.331  0.528  0.180  1.0
  H  H6  1  0.521  0.492  0.992  1.0
  S  S7  1  0.075  0.200  0.727  1.0
  S  S8  1  0.928  0.806  0.271  1.0
  O  O9  1  0.786  0.110  0.750  1.0
  O  O10  1  0.154  0.406  0.803  1.0
  O  O11  1  0.209  0.960  0.196  1.0
  O  O12  1  0.856  0.540  0.248  1.0
  O  O13  1  0.657  0.411  0.943  1.0
  O  O14  1  0.356  0.602  0.053  1.0
  O  O15  1  0.150  0.972  0.807  1.0
  O  O16  1  0.780  0.964  0.192  1.0
  O  O17  1  0.193  0.331  0.531  1.0
  O  O18  1  0.860  0.726  0.468  1.0
[/CIF]
.