The compound described by LiCuPH2O5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a distorted L-shaped geometry to one O(4) and one O(5) atom. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(4) and one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent 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 Cu(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one P(1), and one H(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one H(1), and one H(2) atom. is represented by the CIF file [CIF]
data_LiCuPH2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.990
_cell_length_b   6.138
_cell_length_c   9.830
_cell_angle_alpha   86.508
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   420.978
_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
  Li  Li0  1  0.414  0.403  0.343  1.0
  Li  Li1  1  0.086  0.903  0.343  1.0
  Li  Li2  1  0.914  0.097  0.657  1.0
  Li  Li3  1  0.586  0.597  0.657  1.0
  Cu  Cu4  1  0.203  0.214  0.012  1.0
  Cu  Cu5  1  0.297  0.714  0.012  1.0
  Cu  Cu6  1  0.703  0.286  0.988  1.0
  Cu  Cu7  1  0.797  0.786  0.988  1.0
  P  P8  1  0.527  0.002  0.193  1.0
  P  P9  1  0.973  0.502  0.193  1.0
  P  P10  1  0.027  0.498  0.807  1.0
  P  P11  1  0.473  0.998  0.807  1.0
  H  H12  1  0.729  0.150  0.415  1.0
  H  H13  1  0.894  0.320  0.437  1.0
  H  H14  1  0.771  0.650  0.415  1.0
  H  H15  1  0.606  0.820  0.437  1.0
  H  H16  1  0.394  0.180  0.563  1.0
  H  H17  1  0.229  0.350  0.585  1.0
  H  H18  1  0.106  0.680  0.563  1.0
  H  H19  1  0.271  0.850  0.585  1.0
  O  O20  1  0.462  0.192  0.084  1.0
  O  O21  1  0.038  0.692  0.084  1.0
  O  O22  1  0.767  0.442  0.150  1.0
  O  O23  1  0.733  0.942  0.150  1.0
  O  O24  1  0.120  0.312  0.189  1.0
  O  O25  1  0.380  0.812  0.189  1.0
  O  O26  1  0.526  0.090  0.335  1.0
  O  O27  1  0.974  0.590  0.335  1.0
  O  O28  1  0.851  0.172  0.465  1.0
  O  O29  1  0.649  0.672  0.465  1.0
  O  O30  1  0.351  0.328  0.535  1.0
  O  O31  1  0.149  0.828  0.535  1.0
  O  O32  1  0.026  0.410  0.665  1.0
  O  O33  1  0.474  0.910  0.665  1.0
  O  O34  1  0.620  0.188  0.811  1.0
  O  O35  1  0.880  0.688  0.811  1.0
  O  O36  1  0.267  0.058  0.850  1.0
  O  O37  1  0.233  0.558  0.850  1.0
  O  O38  1  0.962  0.308  0.916  1.0
  O  O39  1  0.538  0.808  0.916  1.0
[/CIF]
.
The compound described by LiCuPH2O5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a distorted L-shaped geometry to one O(4) and one O(5) atom. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(4) and one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent 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 Cu(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one P(1), and one H(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one H(1), and one H(2) atom. is represented by the CIF file [CIF]
data_LiCuPH2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.990
_cell_length_b   6.138
_cell_length_c   9.830
_cell_angle_alpha   86.508
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   420.978
_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
  Li  Li0  1  0.414  0.403  0.343  1.0
  Li  Li1  1  0.086  0.903  0.343  1.0
  Li  Li2  1  0.914  0.097  0.657  1.0
  Li  Li3  1  0.586  0.597  0.657  1.0
  Cu  Cu4  1  0.203  0.214  0.012  1.0
  Cu  Cu5  1  0.297  0.714  0.012  1.0
  Cu  Cu6  1  0.703  0.286  0.988  1.0
  Cu  Cu7  1  0.797  0.786  0.988  1.0
  P  P8  1  0.527  0.002  0.193  1.0
  P  P9  1  0.973  0.502  0.193  1.0
  P  P10  1  0.027  0.498  0.807  1.0
  P  P11  1  0.473  0.998  0.807  1.0
  H  H12  1  0.729  0.150  0.415  1.0
  H  H13  1  0.894  0.320  0.437  1.0
  H  H14  1  0.771  0.650  0.415  1.0
  H  H15  1  0.606  0.820  0.437  1.0
  H  H16  1  0.394  0.180  0.563  1.0
  H  H17  1  0.229  0.350  0.585  1.0
  H  H18  1  0.106  0.680  0.563  1.0
  H  H19  1  0.271  0.850  0.585  1.0
  O  O20  1  0.462  0.192  0.084  1.0
  O  O21  1  0.038  0.692  0.084  1.0
  O  O22  1  0.767  0.442  0.150  1.0
  O  O23  1  0.733  0.942  0.150  1.0
  O  O24  1  0.120  0.312  0.189  1.0
  O  O25  1  0.380  0.812  0.189  1.0
  O  O26  1  0.526  0.090  0.335  1.0
  O  O27  1  0.974  0.590  0.335  1.0
  O  O28  1  0.851  0.172  0.465  1.0
  O  O29  1  0.649  0.672  0.465  1.0
  O  O30  1  0.351  0.328  0.535  1.0
  O  O31  1  0.149  0.828  0.535  1.0
  O  O32  1  0.026  0.410  0.665  1.0
  O  O33  1  0.474  0.910  0.665  1.0
  O  O34  1  0.620  0.188  0.811  1.0
  O  O35  1  0.880  0.688  0.811  1.0
  O  O36  1  0.267  0.058  0.850  1.0
  O  O37  1  0.233  0.558  0.850  1.0
  O  O38  1  0.962  0.308  0.916  1.0
  O  O39  1  0.538  0.808  0.916  1.0
[/CIF]
.