The material structure described by LiH7(SO4)4 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra, corners with two equivalent S(1)O4 tetrahedra, and corners with two equivalent S(2)O4 tetrahedra. There are seven inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(16) and one O(5) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(15) and one O(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) and one O(8) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(4) and one O(7) atom. In the fifth H site, H(5) is bonded in a distorted single-bond geometry to one O(11) and one O(6) atom. In the sixth H site, H(6) is bonded in a linear geometry to one O(12) and one O(5) atom. In the seventh H site, H(7) is bonded in a linear geometry to one O(13) and one O(14) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(11), one O(15), and one O(7) atom to form SO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-55°. In the second S site, S(2) is bonded to one O(12), one O(16), one O(2), and one O(8) atom to form SO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-51°. In the third S site, S(3) is bonded to one O(13), one O(3), one O(5), and one O(9) atom to form SO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the fourth S site, S(4) is bonded to one O(10), one O(14), one O(4), and one O(6) atom to form SO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Li(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one S(2) atom. In the third O site, O(3) is bonded in a water-like geometry to one H(3) and one S(3) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one H(4) and one S(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one H(1), one H(6), and one S(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one H(2), one H(5), and one S(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one H(4), and one S(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one H(3), and one S(2) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Li(1) and one S(3) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Li(1) and one S(4) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one H(5) and one S(1) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one H(6) and one S(2) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one H(7) and one S(3) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one H(7) and one S(4) atom. In the fifteenth O site, O(15) is bonded in a water-like geometry to one H(2) and one S(1) atom. In the sixteenth O site, O(16) is bonded in a water-like geometry to one H(1) and one S(2) atom. is represented by the CIF file [CIF]
data_LiH7(SO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.068
_cell_length_b   7.334
_cell_length_c   8.816
_cell_angle_alpha   81.852
_cell_angle_beta   87.157
_cell_angle_gamma   80.999
_symmetry_Int_Tables_number   1
_cell_volume   320.238
_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  0.499  0.503  0.514  1.0
  H  H1  1  0.810  0.072  0.824  1.0
  H  H2  1  0.185  0.920  0.170  1.0
  H  H3  1  0.059  0.579  0.767  1.0
  H  H4  1  0.929  0.424  0.239  1.0
  H  H5  1  0.632  0.977  0.323  1.0
  H  H6  1  0.372  0.018  0.680  1.0
  H  H7  1  0.472  0.478  0.004  1.0
  S  S8  1  0.970  0.758  0.337  1.0
  S  S9  1  0.033  0.237  0.663  1.0
  S  S10  1  0.669  0.724  0.816  1.0
  S  S11  1  0.315  0.274  0.188  1.0
  O  O12  1  0.196  0.717  0.436  1.0
  O  O13  1  0.810  0.282  0.562  1.0
  O  O14  1  0.984  0.691  0.818  1.0
  O  O15  1  0.003  0.310  0.190  1.0
  O  O16  1  0.602  0.931  0.795  1.0
  O  O17  1  0.385  0.070  0.207  1.0
  O  O18  1  0.813  0.612  0.324  1.0
  O  O19  1  0.187  0.384  0.680  1.0
  O  O20  1  0.586  0.639  0.691  1.0
  O  O21  1  0.413  0.368  0.301  1.0
  O  O22  1  0.787  0.927  0.394  1.0
  O  O23  1  0.219  0.071  0.606  1.0
  O  O24  1  0.571  0.647  0.968  1.0
  O  O25  1  0.404  0.344  0.026  1.0
  O  O26  1  0.057  0.827  0.169  1.0
  O  O27  1  0.939  0.165  0.829  1.0
[/CIF]
.
The material structure described by LiH7(SO4)4 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra, corners with two equivalent S(1)O4 tetrahedra, and corners with two equivalent S(2)O4 tetrahedra. There are seven inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(16) and one O(5) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(15) and one O(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) and one O(8) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(4) and one O(7) atom. In the fifth H site, H(5) is bonded in a distorted single-bond geometry to one O(11) and one O(6) atom. In the sixth H site, H(6) is bonded in a linear geometry to one O(12) and one O(5) atom. In the seventh H site, H(7) is bonded in a linear geometry to one O(13) and one O(14) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(11), one O(15), and one O(7) atom to form SO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-55°. In the second S site, S(2) is bonded to one O(12), one O(16), one O(2), and one O(8) atom to form SO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-51°. In the third S site, S(3) is bonded to one O(13), one O(3), one O(5), and one O(9) atom to form SO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the fourth S site, S(4) is bonded to one O(10), one O(14), one O(4), and one O(6) atom to form SO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Li(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one S(2) atom. In the third O site, O(3) is bonded in a water-like geometry to one H(3) and one S(3) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one H(4) and one S(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one H(1), one H(6), and one S(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one H(2), one H(5), and one S(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one H(4), and one S(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one H(3), and one S(2) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Li(1) and one S(3) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Li(1) and one S(4) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one H(5) and one S(1) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one H(6) and one S(2) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one H(7) and one S(3) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one H(7) and one S(4) atom. In the fifteenth O site, O(15) is bonded in a water-like geometry to one H(2) and one S(1) atom. In the sixteenth O site, O(16) is bonded in a water-like geometry to one H(1) and one S(2) atom. is represented by the CIF file [CIF]
data_LiH7(SO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.068
_cell_length_b   7.334
_cell_length_c   8.816
_cell_angle_alpha   81.852
_cell_angle_beta   87.157
_cell_angle_gamma   80.999
_symmetry_Int_Tables_number   1
_cell_volume   320.238
_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  0.499  0.503  0.514  1.0
  H  H1  1  0.810  0.072  0.824  1.0
  H  H2  1  0.185  0.920  0.170  1.0
  H  H3  1  0.059  0.579  0.767  1.0
  H  H4  1  0.929  0.424  0.239  1.0
  H  H5  1  0.632  0.977  0.323  1.0
  H  H6  1  0.372  0.018  0.680  1.0
  H  H7  1  0.472  0.478  0.004  1.0
  S  S8  1  0.970  0.758  0.337  1.0
  S  S9  1  0.033  0.237  0.663  1.0
  S  S10  1  0.669  0.724  0.816  1.0
  S  S11  1  0.315  0.274  0.188  1.0
  O  O12  1  0.196  0.717  0.436  1.0
  O  O13  1  0.810  0.282  0.562  1.0
  O  O14  1  0.984  0.691  0.818  1.0
  O  O15  1  0.003  0.310  0.190  1.0
  O  O16  1  0.602  0.931  0.795  1.0
  O  O17  1  0.385  0.070  0.207  1.0
  O  O18  1  0.813  0.612  0.324  1.0
  O  O19  1  0.187  0.384  0.680  1.0
  O  O20  1  0.586  0.639  0.691  1.0
  O  O21  1  0.413  0.368  0.301  1.0
  O  O22  1  0.787  0.927  0.394  1.0
  O  O23  1  0.219  0.071  0.606  1.0
  O  O24  1  0.571  0.647  0.968  1.0
  O  O25  1  0.404  0.344  0.026  1.0
  O  O26  1  0.057  0.827  0.169  1.0
  O  O27  1  0.939  0.165  0.829  1.0
[/CIF]
.