The material described by Li4H(PO3)5 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O5 square pyramid, and  an edgeedge with one Li(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(11), one O(12), one O(14), one O(3), and one O(9) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(13), one O(14), one O(3), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(2)O5 square pyramid, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Li(2)O5 square pyramid. In the fourth Li site, Li(4) is bonded to one O(11), one O(12), one O(15), one O(2), and two equivalent O(10) atoms to form LiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one Li(2)O5 square pyramid. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(5), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(2)O5 square pyramids,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and corners with two equivalent Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the second P site, P(2) is bonded to one O(1), one O(11), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-60°. In the third P site, P(3) is bonded to one O(10), one O(2), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-62°. In the fourth P site, P(4) is bonded to one O(12), one O(15), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  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 48-56°. In the fifth P site, P(5) is bonded to one O(13), one O(14), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. H(1) is bonded in a linear geometry to one O(1) and one O(2) atom. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one P(2), and one H(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(4), one P(3), and one H(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(2) and one P(5) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(5) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(3) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Li(4), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(4), and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(4), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), and one P(5) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Li(2), one Li(3), and one P(5) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Li(1), one Li(4), and one P(4) atom. is represented by the CIF card [CIF]
data_Li4P5HO15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.723
_cell_length_b   7.348
_cell_length_c   11.544
_cell_angle_alpha   72.699
_cell_angle_beta   83.295
_cell_angle_gamma   85.401
_symmetry_Int_Tables_number   1
_cell_volume   540.183
_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  0.313  0.311  0.736  1.0
  Li  Li1  1  0.425  0.397  0.176  1.0
  Li  Li2  1  0.279  0.288  0.988  1.0
  Li  Li3  1  0.385  0.361  0.445  1.0
  Li  Li4  1  0.615  0.639  0.555  1.0
  Li  Li5  1  0.721  0.712  0.012  1.0
  Li  Li6  1  0.575  0.603  0.824  1.0
  Li  Li7  1  0.687  0.689  0.264  1.0
  P  P8  1  0.072  0.656  0.830  1.0
  P  P9  1  0.201  0.760  0.227  1.0
  P  P10  1  0.144  0.721  0.563  1.0
  P  P11  1  0.390  0.975  0.359  1.0
  P  P12  1  0.291  0.876  0.952  1.0
  P  P13  1  0.709  0.124  0.048  1.0
  P  P14  1  0.610  0.025  0.641  1.0
  P  P15  1  0.856  0.279  0.437  1.0
  P  P16  1  0.799  0.240  0.773  1.0
  P  P17  1  0.928  0.344  0.170  1.0
  H  H18  1  0.042  0.297  0.577  1.0
  H  H19  1  0.958  0.703  0.423  1.0
  O  O20  1  0.005  0.284  0.707  1.0
  O  O21  1  0.056  0.310  0.483  1.0
  O  O22  1  0.138  0.394  0.120  1.0
  O  O23  1  0.168  0.836  0.086  1.0
  O  O24  1  0.075  0.772  0.685  1.0
  O  O25  1  0.120  0.831  0.879  1.0
  O  O26  1  0.218  0.921  0.476  1.0
  O  O27  1  0.271  0.952  0.251  1.0
  O  O28  1  0.240  0.505  0.844  1.0
  O  O29  1  0.305  0.565  0.572  1.0
  O  O30  1  0.366  0.607  0.254  1.0
  O  O31  1  0.421  0.183  0.333  1.0
  O  O32  1  0.320  0.086  0.904  1.0
  O  O33  1  0.537  0.268  0.047  1.0
  O  O34  1  0.436  0.168  0.616  1.0
  O  O35  1  0.564  0.832  0.384  1.0
  O  O36  1  0.463  0.732  0.953  1.0
  O  O37  1  0.680  0.914  0.096  1.0
  O  O38  1  0.579  0.817  0.667  1.0
  O  O39  1  0.634  0.393  0.746  1.0
  O  O40  1  0.695  0.435  0.428  1.0
  O  O41  1  0.760  0.495  0.156  1.0
  O  O42  1  0.729  0.048  0.749  1.0
  O  O43  1  0.782  0.079  0.524  1.0
  O  O44  1  0.880  0.169  0.121  1.0
  O  O45  1  0.925  0.228  0.315  1.0
  O  O46  1  0.832  0.164  0.914  1.0
  O  O47  1  0.862  0.606  0.880  1.0
  O  O48  1  0.944  0.690  0.517  1.0
  O  O49  1  0.995  0.716  0.293  1.0
[/CIF]
.
The material described by Li4H(PO3)5 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O5 square pyramid, and  an edgeedge with one Li(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(11), one O(12), one O(14), one O(3), and one O(9) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(13), one O(14), one O(3), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Li(2)O5 square pyramid, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Li(2)O5 square pyramid. In the fourth Li site, Li(4) is bonded to one O(11), one O(12), one O(15), one O(2), and two equivalent O(10) atoms to form LiO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one Li(2)O5 square pyramid. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(5), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(2)O5 square pyramids,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and corners with two equivalent Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the second P site, P(2) is bonded to one O(1), one O(11), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-60°. In the third P site, P(3) is bonded to one O(10), one O(2), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-62°. In the fourth P site, P(4) is bonded to one O(12), one O(15), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  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 48-56°. In the fifth P site, P(5) is bonded to one O(13), one O(14), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O5 square pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. H(1) is bonded in a linear geometry to one O(1) and one O(2) atom. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one P(2), and one H(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(4), one P(3), and one H(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(2) and one P(5) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(5) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(3) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Li(4), and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(4), and one P(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(4), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(1), one Li(3), and one P(5) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Li(2), one Li(3), and one P(5) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Li(1), one Li(4), and one P(4) atom. is represented by the CIF card [CIF]
data_Li4P5HO15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.723
_cell_length_b   7.348
_cell_length_c   11.544
_cell_angle_alpha   72.699
_cell_angle_beta   83.295
_cell_angle_gamma   85.401
_symmetry_Int_Tables_number   1
_cell_volume   540.183
_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  0.313  0.311  0.736  1.0
  Li  Li1  1  0.425  0.397  0.176  1.0
  Li  Li2  1  0.279  0.288  0.988  1.0
  Li  Li3  1  0.385  0.361  0.445  1.0
  Li  Li4  1  0.615  0.639  0.555  1.0
  Li  Li5  1  0.721  0.712  0.012  1.0
  Li  Li6  1  0.575  0.603  0.824  1.0
  Li  Li7  1  0.687  0.689  0.264  1.0
  P  P8  1  0.072  0.656  0.830  1.0
  P  P9  1  0.201  0.760  0.227  1.0
  P  P10  1  0.144  0.721  0.563  1.0
  P  P11  1  0.390  0.975  0.359  1.0
  P  P12  1  0.291  0.876  0.952  1.0
  P  P13  1  0.709  0.124  0.048  1.0
  P  P14  1  0.610  0.025  0.641  1.0
  P  P15  1  0.856  0.279  0.437  1.0
  P  P16  1  0.799  0.240  0.773  1.0
  P  P17  1  0.928  0.344  0.170  1.0
  H  H18  1  0.042  0.297  0.577  1.0
  H  H19  1  0.958  0.703  0.423  1.0
  O  O20  1  0.005  0.284  0.707  1.0
  O  O21  1  0.056  0.310  0.483  1.0
  O  O22  1  0.138  0.394  0.120  1.0
  O  O23  1  0.168  0.836  0.086  1.0
  O  O24  1  0.075  0.772  0.685  1.0
  O  O25  1  0.120  0.831  0.879  1.0
  O  O26  1  0.218  0.921  0.476  1.0
  O  O27  1  0.271  0.952  0.251  1.0
  O  O28  1  0.240  0.505  0.844  1.0
  O  O29  1  0.305  0.565  0.572  1.0
  O  O30  1  0.366  0.607  0.254  1.0
  O  O31  1  0.421  0.183  0.333  1.0
  O  O32  1  0.320  0.086  0.904  1.0
  O  O33  1  0.537  0.268  0.047  1.0
  O  O34  1  0.436  0.168  0.616  1.0
  O  O35  1  0.564  0.832  0.384  1.0
  O  O36  1  0.463  0.732  0.953  1.0
  O  O37  1  0.680  0.914  0.096  1.0
  O  O38  1  0.579  0.817  0.667  1.0
  O  O39  1  0.634  0.393  0.746  1.0
  O  O40  1  0.695  0.435  0.428  1.0
  O  O41  1  0.760  0.495  0.156  1.0
  O  O42  1  0.729  0.048  0.749  1.0
  O  O43  1  0.782  0.079  0.524  1.0
  O  O44  1  0.880  0.169  0.121  1.0
  O  O45  1  0.925  0.228  0.315  1.0
  O  O46  1  0.832  0.164  0.914  1.0
  O  O47  1  0.862  0.606  0.880  1.0
  O  O48  1  0.944  0.690  0.517  1.0
  O  O49  1  0.995  0.716  0.293  1.0
[/CIF]
.