The material structure described by LiCu2BP2(HO5)2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and edges with two equivalent P(1)O4 tetrahedra. Cu(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), and two equivalent O(3) atoms. B(1) is bonded to two equivalent O(1) and two equivalent O(5) atoms to form BO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra. 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 Li(1)O6 octahedra,  a cornercorner with one B(1)O4 tetrahedra, and  an edgeedge with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. H(1) 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 bent 120 degrees geometry to one B(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Cu(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one B(1), and one H(1) atom. is represented by the CIF file [CIF]
data_LiCu2BP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.828
_cell_length_b   8.154
_cell_length_c   9.796
_cell_angle_alpha   92.113
_cell_angle_beta   90.000
_cell_angle_gamma   107.219
_symmetry_Int_Tables_number   1
_cell_volume   368.099
_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
  Li  Li0  1  0.000  0.500  0.000  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Cu  Cu2  1  0.854  0.293  0.730  1.0
  Cu  Cu3  1  0.561  0.707  0.770  1.0
  Cu  Cu4  1  0.146  0.707  0.270  1.0
  Cu  Cu5  1  0.439  0.293  0.230  1.0
  B  B6  1  0.282  0.000  0.750  1.0
  B  B7  1  0.718  0.000  0.250  1.0
  P  P8  1  0.324  0.285  0.911  1.0
  P  P9  1  0.038  0.715  0.589  1.0
  P  P10  1  0.676  0.715  0.089  1.0
  P  P11  1  0.962  0.285  0.411  1.0
  H  H12  1  0.418  0.148  0.589  1.0
  H  H13  1  0.269  0.852  0.911  1.0
  H  H14  1  0.582  0.852  0.411  1.0
  H  H15  1  0.731  0.148  0.089  1.0
  O  O16  1  0.155  0.105  0.842  1.0
  O  O17  1  0.051  0.895  0.658  1.0
  O  O18  1  0.845  0.895  0.158  1.0
  O  O19  1  0.949  0.105  0.342  1.0
  O  O20  1  0.655  0.316  0.904  1.0
  O  O21  1  0.339  0.684  0.596  1.0
  O  O22  1  0.345  0.684  0.096  1.0
  O  O23  1  0.661  0.316  0.404  1.0
  O  O24  1  0.219  0.420  0.834  1.0
  O  O25  1  0.799  0.580  0.666  1.0
  O  O26  1  0.781  0.580  0.166  1.0
  O  O27  1  0.201  0.420  0.334  1.0
  O  O28  1  0.225  0.293  0.060  1.0
  O  O29  1  0.932  0.707  0.440  1.0
  O  O30  1  0.775  0.707  0.940  1.0
  O  O31  1  0.068  0.293  0.560  1.0
  O  O32  1  0.512  0.106  0.663  1.0
  O  O33  1  0.406  0.894  0.837  1.0
  O  O34  1  0.488  0.894  0.337  1.0
  O  O35  1  0.594  0.106  0.163  1.0
[/CIF]
.
The material structure described by LiCu2BP2(HO5)2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and edges with two equivalent P(1)O4 tetrahedra. Cu(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), and two equivalent O(3) atoms. B(1) is bonded to two equivalent O(1) and two equivalent O(5) atoms to form BO4 tetrahedra that share corners with two equivalent P(1)O4 tetrahedra. 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 Li(1)O6 octahedra,  a cornercorner with one B(1)O4 tetrahedra, and  an edgeedge with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. H(1) 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 bent 120 degrees geometry to one B(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Cu(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one B(1), and one H(1) atom. is represented by the CIF file [CIF]
data_LiCu2BP2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.828
_cell_length_b   8.154
_cell_length_c   9.796
_cell_angle_alpha   92.113
_cell_angle_beta   90.000
_cell_angle_gamma   107.219
_symmetry_Int_Tables_number   1
_cell_volume   368.099
_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
  Li  Li0  1  0.000  0.500  0.000  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Cu  Cu2  1  0.854  0.293  0.730  1.0
  Cu  Cu3  1  0.561  0.707  0.770  1.0
  Cu  Cu4  1  0.146  0.707  0.270  1.0
  Cu  Cu5  1  0.439  0.293  0.230  1.0
  B  B6  1  0.282  0.000  0.750  1.0
  B  B7  1  0.718  0.000  0.250  1.0
  P  P8  1  0.324  0.285  0.911  1.0
  P  P9  1  0.038  0.715  0.589  1.0
  P  P10  1  0.676  0.715  0.089  1.0
  P  P11  1  0.962  0.285  0.411  1.0
  H  H12  1  0.418  0.148  0.589  1.0
  H  H13  1  0.269  0.852  0.911  1.0
  H  H14  1  0.582  0.852  0.411  1.0
  H  H15  1  0.731  0.148  0.089  1.0
  O  O16  1  0.155  0.105  0.842  1.0
  O  O17  1  0.051  0.895  0.658  1.0
  O  O18  1  0.845  0.895  0.158  1.0
  O  O19  1  0.949  0.105  0.342  1.0
  O  O20  1  0.655  0.316  0.904  1.0
  O  O21  1  0.339  0.684  0.596  1.0
  O  O22  1  0.345  0.684  0.096  1.0
  O  O23  1  0.661  0.316  0.404  1.0
  O  O24  1  0.219  0.420  0.834  1.0
  O  O25  1  0.799  0.580  0.666  1.0
  O  O26  1  0.781  0.580  0.166  1.0
  O  O27  1  0.201  0.420  0.334  1.0
  O  O28  1  0.225  0.293  0.060  1.0
  O  O29  1  0.932  0.707  0.440  1.0
  O  O30  1  0.775  0.707  0.940  1.0
  O  O31  1  0.068  0.293  0.560  1.0
  O  O32  1  0.512  0.106  0.663  1.0
  O  O33  1  0.406  0.894  0.837  1.0
  O  O34  1  0.488  0.894  0.337  1.0
  O  O35  1  0.594  0.106  0.163  1.0
[/CIF]
.