The material described by Li4RhH5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one H(1), two equivalent H(2), and two equivalent H(3) atoms to form distorted LiH5 trigonal bipyramids that share corners with two equivalent Rh(1)H6 octahedra, corners with two equivalent Li(2)H5 trigonal bipyramids, corners with three equivalent Li(1)H5 trigonal bipyramids, edges with two equivalent Rh(1)H6 octahedra,  an edgeedge with one Li(1)H5 trigonal bipyramid, and edges with four equivalent Li(2)H5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 29-48°. In the second Li site, Li(2) is bonded to one H(1), two equivalent H(2), and two equivalent H(3) atoms to form LiH5 trigonal bipyramids that share corners with two equivalent Rh(1)H6 octahedra, corners with two equivalent Li(1)H5 trigonal bipyramids, corners with three equivalent Li(2)H5 trigonal bipyramids, edges with two equivalent Rh(1)H6 octahedra,  an edgeedge with one Li(2)H5 trigonal bipyramid, and edges with four equivalent Li(1)H5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 37-56°. Rh(1) is bonded to two equivalent H(1), two equivalent H(2), and two equivalent H(3) atoms to form RhH6 octahedra that share corners with two equivalent Rh(1)H6 octahedra, corners with four equivalent Li(1)H5 trigonal bipyramids, corners with four equivalent Li(2)H5 trigonal bipyramids, edges with four equivalent Li(1)H5 trigonal bipyramids, and edges with four equivalent Li(2)H5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 1°. There are three inequivalent H sites. In the first H site, H(1) is bonded to two equivalent Li(1), two equivalent Li(2), and two equivalent Rh(1) atoms to form distorted HLi4Rh2 octahedra that share corners with two equivalent H(1)Li4Rh2 octahedra, corners with four equivalent H(2)Li4Rh trigonal bipyramids, corners with four equivalent H(3)Li4Rh trigonal bipyramids, edges with four equivalent H(2)Li4Rh trigonal bipyramids, and edges with four equivalent H(3)Li4Rh trigonal bipyramids. The corner-sharing octahedral tilt angles are 1°. In the second H site, H(2) is bonded to two equivalent Li(1), two equivalent Li(2), and one Rh(1) atom to form distorted HLi4Rh trigonal bipyramids that share corners with two equivalent H(1)Li4Rh2 octahedra, corners with two equivalent H(3)Li4Rh trigonal bipyramids, corners with three equivalent H(2)Li4Rh trigonal bipyramids, edges with two equivalent H(1)Li4Rh2 octahedra,  an edgeedge with one H(2)Li4Rh trigonal bipyramid, and edges with four equivalent H(3)Li4Rh trigonal bipyramids. The corner-sharing octahedral tilt angles range from 40-63°. In the third H site, H(3) is bonded to two equivalent Li(1), two equivalent Li(2), and one Rh(1) atom to form HLi4Rh trigonal bipyramids that share corners with two equivalent H(1)Li4Rh2 octahedra, corners with two equivalent H(2)Li4Rh trigonal bipyramids, corners with three equivalent H(3)Li4Rh trigonal bipyramids, edges with two equivalent H(1)Li4Rh2 octahedra,  an edgeedge with one H(3)Li4Rh trigonal bipyramid, and edges with four equivalent H(2)Li4Rh trigonal bipyramids. The corner-sharing octahedral tilt angles range from 31-56°. is represented by the CIF file [CIF]
data_Li4H5Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.027
_cell_length_b   5.027
_cell_length_c   9.292
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   134.430
_symmetry_Int_Tables_number   1
_cell_volume   167.698
_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  0.579  0.421  0.385  1.0
  Li  Li1  1  0.870  0.130  0.408  1.0
  Li  Li2  1  0.870  0.130  0.092  1.0
  Li  Li3  1  0.130  0.870  0.908  1.0
  Li  Li4  1  0.421  0.579  0.615  1.0
  Li  Li5  1  0.421  0.579  0.885  1.0
  Li  Li6  1  0.579  0.421  0.115  1.0
  Li  Li7  1  0.130  0.870  0.592  1.0
  H  H8  1  0.733  0.267  0.250  1.0
  H  H9  1  0.267  0.733  0.750  1.0
  H  H10  1  0.636  0.364  0.609  1.0
  H  H11  1  0.364  0.636  0.391  1.0
  H  H12  1  0.364  0.636  0.109  1.0
  H  H13  1  0.636  0.364  0.891  1.0
  H  H14  1  0.904  0.096  0.620  1.0
  H  H15  1  0.096  0.904  0.380  1.0
  H  H16  1  0.904  0.096  0.880  1.0
  H  H17  1  0.096  0.904  0.120  1.0
  Rh  Rh18  1  0.232  0.768  0.250  1.0
  Rh  Rh19  1  0.768  0.232  0.750  1.0
[/CIF]
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The material described by Li4RhH5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one H(1), two equivalent H(2), and two equivalent H(3) atoms to form distorted LiH5 trigonal bipyramids that share corners with two equivalent Rh(1)H6 octahedra, corners with two equivalent Li(2)H5 trigonal bipyramids, corners with three equivalent Li(1)H5 trigonal bipyramids, edges with two equivalent Rh(1)H6 octahedra,  an edgeedge with one Li(1)H5 trigonal bipyramid, and edges with four equivalent Li(2)H5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 29-48°. In the second Li site, Li(2) is bonded to one H(1), two equivalent H(2), and two equivalent H(3) atoms to form LiH5 trigonal bipyramids that share corners with two equivalent Rh(1)H6 octahedra, corners with two equivalent Li(1)H5 trigonal bipyramids, corners with three equivalent Li(2)H5 trigonal bipyramids, edges with two equivalent Rh(1)H6 octahedra,  an edgeedge with one Li(2)H5 trigonal bipyramid, and edges with four equivalent Li(1)H5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 37-56°. Rh(1) is bonded to two equivalent H(1), two equivalent H(2), and two equivalent H(3) atoms to form RhH6 octahedra that share corners with two equivalent Rh(1)H6 octahedra, corners with four equivalent Li(1)H5 trigonal bipyramids, corners with four equivalent Li(2)H5 trigonal bipyramids, edges with four equivalent Li(1)H5 trigonal bipyramids, and edges with four equivalent Li(2)H5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 1°. There are three inequivalent H sites. In the first H site, H(1) is bonded to two equivalent Li(1), two equivalent Li(2), and two equivalent Rh(1) atoms to form distorted HLi4Rh2 octahedra that share corners with two equivalent H(1)Li4Rh2 octahedra, corners with four equivalent H(2)Li4Rh trigonal bipyramids, corners with four equivalent H(3)Li4Rh trigonal bipyramids, edges with four equivalent H(2)Li4Rh trigonal bipyramids, and edges with four equivalent H(3)Li4Rh trigonal bipyramids. The corner-sharing octahedral tilt angles are 1°. In the second H site, H(2) is bonded to two equivalent Li(1), two equivalent Li(2), and one Rh(1) atom to form distorted HLi4Rh trigonal bipyramids that share corners with two equivalent H(1)Li4Rh2 octahedra, corners with two equivalent H(3)Li4Rh trigonal bipyramids, corners with three equivalent H(2)Li4Rh trigonal bipyramids, edges with two equivalent H(1)Li4Rh2 octahedra,  an edgeedge with one H(2)Li4Rh trigonal bipyramid, and edges with four equivalent H(3)Li4Rh trigonal bipyramids. The corner-sharing octahedral tilt angles range from 40-63°. In the third H site, H(3) is bonded to two equivalent Li(1), two equivalent Li(2), and one Rh(1) atom to form HLi4Rh trigonal bipyramids that share corners with two equivalent H(1)Li4Rh2 octahedra, corners with two equivalent H(2)Li4Rh trigonal bipyramids, corners with three equivalent H(3)Li4Rh trigonal bipyramids, edges with two equivalent H(1)Li4Rh2 octahedra,  an edgeedge with one H(3)Li4Rh trigonal bipyramid, and edges with four equivalent H(2)Li4Rh trigonal bipyramids. The corner-sharing octahedral tilt angles range from 31-56°. is represented by the CIF file [CIF]
data_Li4H5Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.027
_cell_length_b   5.027
_cell_length_c   9.292
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   134.430
_symmetry_Int_Tables_number   1
_cell_volume   167.698
_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  0.579  0.421  0.385  1.0
  Li  Li1  1  0.870  0.130  0.408  1.0
  Li  Li2  1  0.870  0.130  0.092  1.0
  Li  Li3  1  0.130  0.870  0.908  1.0
  Li  Li4  1  0.421  0.579  0.615  1.0
  Li  Li5  1  0.421  0.579  0.885  1.0
  Li  Li6  1  0.579  0.421  0.115  1.0
  Li  Li7  1  0.130  0.870  0.592  1.0
  H  H8  1  0.733  0.267  0.250  1.0
  H  H9  1  0.267  0.733  0.750  1.0
  H  H10  1  0.636  0.364  0.609  1.0
  H  H11  1  0.364  0.636  0.391  1.0
  H  H12  1  0.364  0.636  0.109  1.0
  H  H13  1  0.636  0.364  0.891  1.0
  H  H14  1  0.904  0.096  0.620  1.0
  H  H15  1  0.096  0.904  0.380  1.0
  H  H16  1  0.904  0.096  0.880  1.0
  H  H17  1  0.096  0.904  0.120  1.0
  Rh  Rh18  1  0.232  0.768  0.250  1.0
  Rh  Rh19  1  0.768  0.232  0.750  1.0
[/CIF]
.