The compound described by Li3RhH4 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to two equivalent H(1) and three equivalent H(2) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent H(2) and four equivalent H(1) atoms. Rh(1) is bonded in a distorted square co-planar geometry to two equivalent H(1) and two equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and one Rh(1) atom. In the second H site, H(2) is bonded to one Li(2), three equivalent Li(1), and one Rh(1) atom to form a mixture of distorted edge and corner-sharing HLi4Rh square pyramids. is represented by the CIF card [CIF]
data_Li3H4Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.813
_cell_length_b   4.813
_cell_length_c   8.767
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   45.654
_symmetry_Int_Tables_number   1
_cell_volume   145.218
_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  0.838  0.838  0.430  1.0
  Li  Li1  1  0.162  0.162  0.570  1.0
  Li  Li2  1  0.838  0.838  0.070  1.0
  Li  Li3  1  0.162  0.162  0.930  1.0
  Li  Li4  1  0.512  0.512  0.250  1.0
  Li  Li5  1  0.488  0.488  0.750  1.0
  H  H6  1  0.065  0.065  0.123  1.0
  H  H7  1  0.935  0.935  0.877  1.0
  H  H8  1  0.065  0.065  0.377  1.0
  H  H9  1  0.935  0.935  0.623  1.0
  H  H10  1  0.333  0.333  0.387  1.0
  H  H11  1  0.667  0.667  0.613  1.0
  H  H12  1  0.333  0.333  0.113  1.0
  H  H13  1  0.667  0.667  0.887  1.0
  Rh  Rh14  1  0.203  0.203  0.250  1.0
  Rh  Rh15  1  0.797  0.797  0.750  1.0
[/CIF]
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The compound described by Li3RhH4 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to two equivalent H(1) and three equivalent H(2) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent H(2) and four equivalent H(1) atoms. Rh(1) is bonded in a distorted square co-planar geometry to two equivalent H(1) and two equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and one Rh(1) atom. In the second H site, H(2) is bonded to one Li(2), three equivalent Li(1), and one Rh(1) atom to form a mixture of distorted edge and corner-sharing HLi4Rh square pyramids. is represented by the CIF card [CIF]
data_Li3H4Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.813
_cell_length_b   4.813
_cell_length_c   8.767
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   45.654
_symmetry_Int_Tables_number   1
_cell_volume   145.218
_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  0.838  0.838  0.430  1.0
  Li  Li1  1  0.162  0.162  0.570  1.0
  Li  Li2  1  0.838  0.838  0.070  1.0
  Li  Li3  1  0.162  0.162  0.930  1.0
  Li  Li4  1  0.512  0.512  0.250  1.0
  Li  Li5  1  0.488  0.488  0.750  1.0
  H  H6  1  0.065  0.065  0.123  1.0
  H  H7  1  0.935  0.935  0.877  1.0
  H  H8  1  0.065  0.065  0.377  1.0
  H  H9  1  0.935  0.935  0.623  1.0
  H  H10  1  0.333  0.333  0.387  1.0
  H  H11  1  0.667  0.667  0.613  1.0
  H  H12  1  0.333  0.333  0.113  1.0
  H  H13  1  0.667  0.667  0.887  1.0
  Rh  Rh14  1  0.203  0.203  0.250  1.0
  Rh  Rh15  1  0.797  0.797  0.750  1.0
[/CIF]
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