The compound described by Li4Sn2P4H3O16 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(14), one O(4), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 73°. In the second Li site, Li(2) is bonded to one O(10), one O(15), one O(5), one O(7), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Sn(1)O6 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 75°. In the third Li site, Li(3) is bonded to one O(10), one O(12), one O(2), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 78°. In the fourth Li site, Li(4) is bonded to one O(11), one O(13), one O(16), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 70°. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(12), one O(14), one O(15), one O(2), one O(3), and one O(5) atom to form SnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the second Sn site, Sn(2) is bonded to one O(1), one O(11), one O(16), one O(6), one O(8), and one O(9) atom to form SnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(16), one O(2), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and corners with two equivalent Li(3)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 42-61°. In the second P site, P(2) is bonded to one O(11), one O(12), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 37-59°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 32-57°. In the fourth P site, P(4) is bonded to one O(1), one O(13), one O(15), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and corners with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-62°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(13) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(10) and one O(7) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Sn(2), and one P(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(3), one Sn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(4), one Sn(1), and one P(2) 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 distorted T-shaped geometry to one Li(2), one Sn(1), and one P(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Sn(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one P(2), and one H(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(3), one Sn(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one Sn(2), and one P(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one P(3), and one H(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Li(4), one Sn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(3), one Sn(1), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one P(4), and one H(2) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(1), one Sn(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(2), one Sn(1), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(4), one Sn(2), and one P(1) atom. is represented by the CIF card [CIF]
data_Li4Sn2P4H3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.945
_cell_length_b   8.146
_cell_length_c   8.913
_cell_angle_alpha   90.694
_cell_angle_beta   91.436
_cell_angle_gamma   100.745
_symmetry_Int_Tables_number   1
_cell_volume   352.572
_cell_formula_units_Z   1
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  0.107  0.684  0.652  1.0
  Li  Li1  1  0.404  0.842  0.126  1.0
  Li  Li2  1  0.614  0.154  0.866  1.0
  Li  Li3  1  0.877  0.311  0.346  1.0
  Sn  Sn4  1  0.999  0.506  0.996  1.0
  Sn  Sn5  1  0.495  0.995  0.501  1.0
  P  P6  1  0.127  0.274  0.666  1.0
  P  P7  1  0.364  0.230  0.142  1.0
  P  P8  1  0.620  0.775  0.855  1.0
  P  P9  1  0.874  0.723  0.330  1.0
  H  H10  1  0.461  0.492  0.640  1.0
  H  H11  1  0.534  0.515  0.380  1.0
  H  H12  1  0.041  0.022  0.020  1.0
  O  O13  1  0.056  0.796  0.465  1.0
  O  O14  1  0.966  0.306  0.808  1.0
  O  O15  1  0.132  0.331  0.173  1.0
  O  O16  1  0.267  0.461  0.607  1.0
  O  O17  1  0.410  0.673  0.964  1.0
  O  O18  1  0.477  0.797  0.702  1.0
  O  O19  1  0.228  0.048  0.074  1.0
  O  O20  1  0.358  0.179  0.700  1.0
  O  O21  1  0.640  0.816  0.295  1.0
  O  O22  1  0.741  0.944  0.932  1.0
  O  O23  1  0.512  0.197  0.287  1.0
  O  O24  1  0.559  0.317  0.022  1.0
  O  O25  1  0.736  0.533  0.383  1.0
  O  O26  1  0.848  0.667  0.822  1.0
  O  O27  1  0.043  0.695  0.192  1.0
  O  O28  1  0.937  0.202  0.535  1.0
[/CIF]
.
The compound described by Li4Sn2P4H3O16 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(14), one O(4), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 73°. In the second Li site, Li(2) is bonded to one O(10), one O(15), one O(5), one O(7), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Sn(1)O6 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 75°. In the third Li site, Li(3) is bonded to one O(10), one O(12), one O(2), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Sn(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 78°. In the fourth Li site, Li(4) is bonded to one O(11), one O(13), one O(16), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 70°. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(12), one O(14), one O(15), one O(2), one O(3), and one O(5) atom to form SnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the second Sn site, Sn(2) is bonded to one O(1), one O(11), one O(16), one O(6), one O(8), and one O(9) atom to form SnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(16), one O(2), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and corners with two equivalent Li(3)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 42-61°. In the second P site, P(2) is bonded to one O(11), one O(12), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  a cornercorner with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 37-59°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 32-57°. In the fourth P site, P(4) is bonded to one O(1), one O(13), one O(15), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Sn(1)O6 octahedra, corners with two equivalent Sn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and corners with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-62°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(13) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(10) and one O(7) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Sn(2), and one P(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(3), one Sn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(4), one Sn(1), and one P(2) 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 distorted T-shaped geometry to one Li(2), one Sn(1), and one P(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Sn(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one P(2), and one H(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(3), one Sn(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(2), one Sn(2), and one P(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one P(3), and one H(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Li(4), one Sn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(3), one Sn(1), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one P(4), and one H(2) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(1), one Sn(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(2), one Sn(1), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(4), one Sn(2), and one P(1) atom. is represented by the CIF card [CIF]
data_Li4Sn2P4H3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.945
_cell_length_b   8.146
_cell_length_c   8.913
_cell_angle_alpha   90.694
_cell_angle_beta   91.436
_cell_angle_gamma   100.745
_symmetry_Int_Tables_number   1
_cell_volume   352.572
_cell_formula_units_Z   1
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  0.107  0.684  0.652  1.0
  Li  Li1  1  0.404  0.842  0.126  1.0
  Li  Li2  1  0.614  0.154  0.866  1.0
  Li  Li3  1  0.877  0.311  0.346  1.0
  Sn  Sn4  1  0.999  0.506  0.996  1.0
  Sn  Sn5  1  0.495  0.995  0.501  1.0
  P  P6  1  0.127  0.274  0.666  1.0
  P  P7  1  0.364  0.230  0.142  1.0
  P  P8  1  0.620  0.775  0.855  1.0
  P  P9  1  0.874  0.723  0.330  1.0
  H  H10  1  0.461  0.492  0.640  1.0
  H  H11  1  0.534  0.515  0.380  1.0
  H  H12  1  0.041  0.022  0.020  1.0
  O  O13  1  0.056  0.796  0.465  1.0
  O  O14  1  0.966  0.306  0.808  1.0
  O  O15  1  0.132  0.331  0.173  1.0
  O  O16  1  0.267  0.461  0.607  1.0
  O  O17  1  0.410  0.673  0.964  1.0
  O  O18  1  0.477  0.797  0.702  1.0
  O  O19  1  0.228  0.048  0.074  1.0
  O  O20  1  0.358  0.179  0.700  1.0
  O  O21  1  0.640  0.816  0.295  1.0
  O  O22  1  0.741  0.944  0.932  1.0
  O  O23  1  0.512  0.197  0.287  1.0
  O  O24  1  0.559  0.317  0.022  1.0
  O  O25  1  0.736  0.533  0.383  1.0
  O  O26  1  0.848  0.667  0.822  1.0
  O  O27  1  0.043  0.695  0.192  1.0
  O  O28  1  0.937  0.202  0.535  1.0
[/CIF]
.