The material structure described by LiCu2P3H8O13 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(11), one O(12), one O(13), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  an edgeedge with one Cu(2)O6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(2), one O(8), one O(9), and two equivalent O(10) atoms to form CuO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. In the second Cu site, Cu(2) is bonded to one O(12), one O(5), one O(8), one O(9), and two equivalent O(1) atoms to form CuO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with three equivalent Cu(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-66°. In the second P site, P(2) is bonded to one O(10), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with three equivalent Cu(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-63°. In the third P site, P(3) is bonded to one O(11), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(9) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(9) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(13) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(13) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), two equivalent Cu(2), and one P(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one Cu(1), one H(1), and one H(4) atom. In the third O site, O(3) is bonded in a single-bond geometry to one P(3) 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 4-coordinate geometry to one Li(1), one Cu(2), one H(2), and one H(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted water-like geometry to one Cu(1), one Cu(2), one H(5), and one H(6) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to two equivalent Cu(1) and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Li(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Cu(2), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one H(7), and one H(8) atom. is represented by the CIF file [CIF]
data_LiCu2P3H8O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.808
_cell_length_b   9.294
_cell_length_c   9.876
_cell_angle_alpha   94.696
_cell_angle_beta   104.303
_cell_angle_gamma   107.681
_symmetry_Int_Tables_number   1
_cell_volume   568.517
_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  0.636  0.749  0.612  1.0
  Li  Li1  1  0.364  0.251  0.388  1.0
  Cu  Cu2  1  0.195  0.657  0.962  1.0
  Cu  Cu3  1  0.561  0.947  0.849  1.0
  Cu  Cu4  1  0.439  0.053  0.151  1.0
  Cu  Cu5  1  0.805  0.343  0.038  1.0
  P  P6  1  0.079  0.979  0.822  1.0
  P  P7  1  0.270  0.296  0.967  1.0
  P  P8  1  0.178  0.223  0.661  1.0
  P  P9  1  0.822  0.777  0.339  1.0
  P  P10  1  0.730  0.704  0.033  1.0
  P  P11  1  0.921  0.021  0.178  1.0
  H  H12  1  0.031  0.455  0.681  1.0
  H  H13  1  0.271  0.799  0.546  1.0
  H  H14  1  0.275  0.693  0.660  1.0
  H  H15  1  0.081  0.424  0.317  1.0
  H  H16  1  0.205  0.798  0.255  1.0
  H  H17  1  0.433  0.790  0.280  1.0
  H  H18  1  0.338  0.435  0.224  1.0
  H  H19  1  0.518  0.455  0.633  1.0
  H  H20  1  0.482  0.545  0.367  1.0
  H  H21  1  0.662  0.565  0.776  1.0
  H  H22  1  0.567  0.210  0.720  1.0
  H  H23  1  0.795  0.202  0.745  1.0
  H  H24  1  0.919  0.576  0.683  1.0
  H  H25  1  0.725  0.307  0.340  1.0
  H  H26  1  0.729  0.201  0.454  1.0
  H  H27  1  0.969  0.545  0.319  1.0
  O  O28  1  0.247  0.917  0.900  1.0
  O  O29  1  0.063  0.565  0.712  1.0
  O  O30  1  0.040  0.761  0.386  1.0
  O  O31  1  0.080  0.131  0.917  1.0
  O  O32  1  0.372  0.776  0.625  1.0
  O  O33  1  0.308  0.331  0.815  1.0
  O  O34  1  0.161  0.053  0.693  1.0
  O  O35  1  0.527  0.720  0.942  1.0
  O  O36  1  0.322  0.813  0.210  1.0
  O  O37  1  0.173  0.407  0.022  1.0
  O  O38  1  0.333  0.262  0.574  1.0
  O  O39  1  0.152  0.118  0.233  1.0
  O  O40  1  0.366  0.445  0.327  1.0
  O  O41  1  0.634  0.555  0.673  1.0
  O  O42  1  0.848  0.882  0.767  1.0
  O  O43  1  0.667  0.738  0.426  1.0
  O  O44  1  0.827  0.593  0.978  1.0
  O  O45  1  0.678  0.187  0.790  1.0
  O  O46  1  0.473  0.280  0.058  1.0
  O  O47  1  0.839  0.947  0.307  1.0
  O  O48  1  0.692  0.669  0.185  1.0
  O  O49  1  0.628  0.224  0.375  1.0
  O  O50  1  0.920  0.869  0.083  1.0
  O  O51  1  0.960  0.239  0.614  1.0
  O  O52  1  0.937  0.435  0.288  1.0
  O  O53  1  0.753  0.083  0.100  1.0
[/CIF]
.
The material structure described by LiCu2P3H8O13 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(11), one O(12), one O(13), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  an edgeedge with one Cu(2)O6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(2), one O(8), one O(9), and two equivalent O(10) atoms to form CuO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. In the second Cu site, Cu(2) is bonded to one O(12), one O(5), one O(8), one O(9), and two equivalent O(1) atoms to form CuO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with three equivalent Cu(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-66°. In the second P site, P(2) is bonded to one O(10), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with three equivalent Cu(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-63°. In the third P site, P(3) is bonded to one O(11), one O(3), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(9) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(9) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(13) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(13) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), two equivalent Cu(2), and one P(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one Cu(1), one H(1), and one H(4) atom. In the third O site, O(3) is bonded in a single-bond geometry to one P(3) 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 4-coordinate geometry to one Li(1), one Cu(2), one H(2), and one H(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted water-like geometry to one Cu(1), one Cu(2), one H(5), and one H(6) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to two equivalent Cu(1) and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Li(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Cu(2), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one H(7), and one H(8) atom. is represented by the CIF file [CIF]
data_LiCu2P3H8O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.808
_cell_length_b   9.294
_cell_length_c   9.876
_cell_angle_alpha   94.696
_cell_angle_beta   104.303
_cell_angle_gamma   107.681
_symmetry_Int_Tables_number   1
_cell_volume   568.517
_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  0.636  0.749  0.612  1.0
  Li  Li1  1  0.364  0.251  0.388  1.0
  Cu  Cu2  1  0.195  0.657  0.962  1.0
  Cu  Cu3  1  0.561  0.947  0.849  1.0
  Cu  Cu4  1  0.439  0.053  0.151  1.0
  Cu  Cu5  1  0.805  0.343  0.038  1.0
  P  P6  1  0.079  0.979  0.822  1.0
  P  P7  1  0.270  0.296  0.967  1.0
  P  P8  1  0.178  0.223  0.661  1.0
  P  P9  1  0.822  0.777  0.339  1.0
  P  P10  1  0.730  0.704  0.033  1.0
  P  P11  1  0.921  0.021  0.178  1.0
  H  H12  1  0.031  0.455  0.681  1.0
  H  H13  1  0.271  0.799  0.546  1.0
  H  H14  1  0.275  0.693  0.660  1.0
  H  H15  1  0.081  0.424  0.317  1.0
  H  H16  1  0.205  0.798  0.255  1.0
  H  H17  1  0.433  0.790  0.280  1.0
  H  H18  1  0.338  0.435  0.224  1.0
  H  H19  1  0.518  0.455  0.633  1.0
  H  H20  1  0.482  0.545  0.367  1.0
  H  H21  1  0.662  0.565  0.776  1.0
  H  H22  1  0.567  0.210  0.720  1.0
  H  H23  1  0.795  0.202  0.745  1.0
  H  H24  1  0.919  0.576  0.683  1.0
  H  H25  1  0.725  0.307  0.340  1.0
  H  H26  1  0.729  0.201  0.454  1.0
  H  H27  1  0.969  0.545  0.319  1.0
  O  O28  1  0.247  0.917  0.900  1.0
  O  O29  1  0.063  0.565  0.712  1.0
  O  O30  1  0.040  0.761  0.386  1.0
  O  O31  1  0.080  0.131  0.917  1.0
  O  O32  1  0.372  0.776  0.625  1.0
  O  O33  1  0.308  0.331  0.815  1.0
  O  O34  1  0.161  0.053  0.693  1.0
  O  O35  1  0.527  0.720  0.942  1.0
  O  O36  1  0.322  0.813  0.210  1.0
  O  O37  1  0.173  0.407  0.022  1.0
  O  O38  1  0.333  0.262  0.574  1.0
  O  O39  1  0.152  0.118  0.233  1.0
  O  O40  1  0.366  0.445  0.327  1.0
  O  O41  1  0.634  0.555  0.673  1.0
  O  O42  1  0.848  0.882  0.767  1.0
  O  O43  1  0.667  0.738  0.426  1.0
  O  O44  1  0.827  0.593  0.978  1.0
  O  O45  1  0.678  0.187  0.790  1.0
  O  O46  1  0.473  0.280  0.058  1.0
  O  O47  1  0.839  0.947  0.307  1.0
  O  O48  1  0.692  0.669  0.185  1.0
  O  O49  1  0.628  0.224  0.375  1.0
  O  O50  1  0.920  0.869  0.083  1.0
  O  O51  1  0.960  0.239  0.614  1.0
  O  O52  1  0.937  0.435  0.288  1.0
  O  O53  1  0.753  0.083  0.100  1.0
[/CIF]
.