The material described by Li2CuP3(HO5)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(9) atom. In the second Li site, Li(2) is bonded to one O(10), one O(4), one O(5), one O(8), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Cu(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. Cu(1) is bonded to one O(1), one O(10), one O(2), and one O(8) atom to form distorted CuO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent Li(2)O5 trigonal bipyramids. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(10), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent Li(2)O5 trigonal bipyramids. In the third P site, P(3) is bonded to one O(6), one O(7), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Li(2)O5 trigonal bipyramids. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Li(1), one Cu(1), one H(1), and one H(2) 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 bent 120 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), 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 Li(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Li2CuP3(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.325
_cell_length_b   7.646
_cell_length_c   8.235
_cell_angle_alpha   71.389
_cell_angle_beta   73.790
_cell_angle_gamma   71.498
_symmetry_Int_Tables_number   1
_cell_volume   406.348
_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  0.320  0.402  0.989  1.0
  Li  Li1  1  0.417  0.665  0.627  1.0
  Li  Li2  1  0.583  0.335  0.373  1.0
  Li  Li3  1  0.680  0.598  0.011  1.0
  Cu  Cu4  1  0.713  0.938  0.639  1.0
  Cu  Cu5  1  0.287  0.062  0.361  1.0
  P  P6  1  0.296  0.888  0.915  1.0
  P  P7  1  0.752  0.290  0.718  1.0
  P  P8  1  0.188  0.277  0.671  1.0
  P  P9  1  0.812  0.723  0.329  1.0
  P  P10  1  0.248  0.710  0.282  1.0
  P  P11  1  0.704  0.112  0.085  1.0
  H  H12  1  0.993  0.759  0.837  1.0
  H  H13  1  1.000  0.622  0.735  1.0
  H  H14  1  0.000  0.378  0.265  1.0
  H  H15  1  0.007  0.241  0.163  1.0
  O  O16  1  0.903  0.709  0.803  1.0
  O  O17  1  0.513  0.859  0.882  1.0
  O  O18  1  0.794  0.112  0.882  1.0
  O  O19  1  0.225  0.754  0.860  1.0
  O  O20  1  0.596  0.452  0.780  1.0
  O  O21  1  0.960  0.346  0.651  1.0
  O  O22  1  0.181  0.106  0.846  1.0
  O  O23  1  0.682  0.797  0.483  1.0
  O  O24  1  0.232  0.436  0.710  1.0
  O  O25  1  0.718  0.216  0.583  1.0
  O  O26  1  0.282  0.784  0.417  1.0
  O  O27  1  0.768  0.564  0.290  1.0
  O  O28  1  0.318  0.203  0.517  1.0
  O  O29  1  0.819  0.894  0.154  1.0
  O  O30  1  0.040  0.654  0.349  1.0
  O  O31  1  0.404  0.548  0.220  1.0
  O  O32  1  0.775  0.246  0.140  1.0
  O  O33  1  0.206  0.888  0.118  1.0
  O  O34  1  0.487  0.141  0.118  1.0
  O  O35  1  0.097  0.291  0.197  1.0
[/CIF]
.
The material described by Li2CuP3(HO5)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(9) atom. In the second Li site, Li(2) is bonded to one O(10), one O(4), one O(5), one O(8), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Cu(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. Cu(1) is bonded to one O(1), one O(10), one O(2), and one O(8) atom to form distorted CuO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent Li(2)O5 trigonal bipyramids. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(10), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent Li(2)O5 trigonal bipyramids. In the third P site, P(3) is bonded to one O(6), one O(7), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Li(2)O5 trigonal bipyramids. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Li(1), one Cu(1), one H(1), and one H(2) 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 bent 120 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), 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 Li(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Li2CuP3(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.325
_cell_length_b   7.646
_cell_length_c   8.235
_cell_angle_alpha   71.389
_cell_angle_beta   73.790
_cell_angle_gamma   71.498
_symmetry_Int_Tables_number   1
_cell_volume   406.348
_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  0.320  0.402  0.989  1.0
  Li  Li1  1  0.417  0.665  0.627  1.0
  Li  Li2  1  0.583  0.335  0.373  1.0
  Li  Li3  1  0.680  0.598  0.011  1.0
  Cu  Cu4  1  0.713  0.938  0.639  1.0
  Cu  Cu5  1  0.287  0.062  0.361  1.0
  P  P6  1  0.296  0.888  0.915  1.0
  P  P7  1  0.752  0.290  0.718  1.0
  P  P8  1  0.188  0.277  0.671  1.0
  P  P9  1  0.812  0.723  0.329  1.0
  P  P10  1  0.248  0.710  0.282  1.0
  P  P11  1  0.704  0.112  0.085  1.0
  H  H12  1  0.993  0.759  0.837  1.0
  H  H13  1  1.000  0.622  0.735  1.0
  H  H14  1  0.000  0.378  0.265  1.0
  H  H15  1  0.007  0.241  0.163  1.0
  O  O16  1  0.903  0.709  0.803  1.0
  O  O17  1  0.513  0.859  0.882  1.0
  O  O18  1  0.794  0.112  0.882  1.0
  O  O19  1  0.225  0.754  0.860  1.0
  O  O20  1  0.596  0.452  0.780  1.0
  O  O21  1  0.960  0.346  0.651  1.0
  O  O22  1  0.181  0.106  0.846  1.0
  O  O23  1  0.682  0.797  0.483  1.0
  O  O24  1  0.232  0.436  0.710  1.0
  O  O25  1  0.718  0.216  0.583  1.0
  O  O26  1  0.282  0.784  0.417  1.0
  O  O27  1  0.768  0.564  0.290  1.0
  O  O28  1  0.318  0.203  0.517  1.0
  O  O29  1  0.819  0.894  0.154  1.0
  O  O30  1  0.040  0.654  0.349  1.0
  O  O31  1  0.404  0.548  0.220  1.0
  O  O32  1  0.775  0.246  0.140  1.0
  O  O33  1  0.206  0.888  0.118  1.0
  O  O34  1  0.487  0.141  0.118  1.0
  O  O35  1  0.097  0.291  0.197  1.0
[/CIF]
.