The material structure described by Li(NH3)4C2H is Silicon tetrafluoride-derived structured and crystallizes in the tetragonal P4/n space group. The structure is zero-dimensional and consists of two acetylene molecules and two Li(NH3)4 clusters. In each Li(NH3)4 cluster, Li(1) is bonded in a tetrahedral geometry to four equivalent N(1) atoms. N(1) is bonded to one Li(1), one H(2), one H(3), and one H(4) atom to form distorted corner-sharing NLiH3 tetrahedra. There are three inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(3) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(4) is bonded in a single-bond geometry to one N(1) atom. is represented by the CIF card [CIF]
data_LiH13(CN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.647
_cell_length_b   8.647
_cell_length_c   5.370
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   401.486
_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  0.000  0.000  0.500  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  H  H2  1  0.500  0.000  0.018  1.0
  H  H3  1  0.000  0.500  0.982  1.0
  H  H4  1  0.727  0.090  0.368  1.0
  H  H5  1  0.273  0.910  0.368  1.0
  H  H6  1  0.410  0.227  0.368  1.0
  H  H7  1  0.590  0.773  0.368  1.0
  H  H8  1  0.773  0.410  0.632  1.0
  H  H9  1  0.227  0.590  0.632  1.0
  H  H10  1  0.090  0.273  0.632  1.0
  H  H11  1  0.910  0.727  0.632  1.0
  H  H12  1  0.856  0.226  0.292  1.0
  H  H13  1  0.144  0.774  0.292  1.0
  H  H14  1  0.274  0.356  0.292  1.0
  H  H15  1  0.726  0.644  0.292  1.0
  H  H16  1  0.644  0.274  0.708  1.0
  H  H17  1  0.356  0.726  0.708  1.0
  H  H18  1  0.226  0.144  0.708  1.0
  H  H19  1  0.774  0.856  0.708  1.0
  H  H20  1  0.820  0.081  0.102  1.0
  H  H21  1  0.180  0.919  0.102  1.0
  H  H22  1  0.419  0.320  0.102  1.0
  H  H23  1  0.581  0.680  0.102  1.0
  H  H24  1  0.680  0.419  0.898  1.0
  H  H25  1  0.320  0.581  0.898  1.0
  H  H26  1  0.081  0.180  0.898  1.0
  H  H27  1  0.919  0.820  0.898  1.0
  C  C28  1  0.500  0.000  0.584  1.0
  C  C29  1  0.000  0.500  0.416  1.0
  C  C30  1  0.500  0.000  0.817  1.0
  C  C31  1  0.000  0.500  0.183  1.0
  N  N32  1  0.833  0.109  0.286  1.0
  N  N33  1  0.167  0.891  0.286  1.0
  N  N34  1  0.391  0.333  0.286  1.0
  N  N35  1  0.609  0.667  0.286  1.0
  N  N36  1  0.667  0.391  0.714  1.0
  N  N37  1  0.333  0.609  0.714  1.0
  N  N38  1  0.109  0.167  0.714  1.0
  N  N39  1  0.891  0.833  0.714  1.0
[/CIF]
.
The material structure described by Li(NH3)4C2H is Silicon tetrafluoride-derived structured and crystallizes in the tetragonal P4/n space group. The structure is zero-dimensional and consists of two acetylene molecules and two Li(NH3)4 clusters. In each Li(NH3)4 cluster, Li(1) is bonded in a tetrahedral geometry to four equivalent N(1) atoms. N(1) is bonded to one Li(1), one H(2), one H(3), and one H(4) atom to form distorted corner-sharing NLiH3 tetrahedra. There are three inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(3) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(4) is bonded in a single-bond geometry to one N(1) atom. is represented by the CIF card [CIF]
data_LiH13(CN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.647
_cell_length_b   8.647
_cell_length_c   5.370
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   401.486
_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  0.000  0.000  0.500  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  H  H2  1  0.500  0.000  0.018  1.0
  H  H3  1  0.000  0.500  0.982  1.0
  H  H4  1  0.727  0.090  0.368  1.0
  H  H5  1  0.273  0.910  0.368  1.0
  H  H6  1  0.410  0.227  0.368  1.0
  H  H7  1  0.590  0.773  0.368  1.0
  H  H8  1  0.773  0.410  0.632  1.0
  H  H9  1  0.227  0.590  0.632  1.0
  H  H10  1  0.090  0.273  0.632  1.0
  H  H11  1  0.910  0.727  0.632  1.0
  H  H12  1  0.856  0.226  0.292  1.0
  H  H13  1  0.144  0.774  0.292  1.0
  H  H14  1  0.274  0.356  0.292  1.0
  H  H15  1  0.726  0.644  0.292  1.0
  H  H16  1  0.644  0.274  0.708  1.0
  H  H17  1  0.356  0.726  0.708  1.0
  H  H18  1  0.226  0.144  0.708  1.0
  H  H19  1  0.774  0.856  0.708  1.0
  H  H20  1  0.820  0.081  0.102  1.0
  H  H21  1  0.180  0.919  0.102  1.0
  H  H22  1  0.419  0.320  0.102  1.0
  H  H23  1  0.581  0.680  0.102  1.0
  H  H24  1  0.680  0.419  0.898  1.0
  H  H25  1  0.320  0.581  0.898  1.0
  H  H26  1  0.081  0.180  0.898  1.0
  H  H27  1  0.919  0.820  0.898  1.0
  C  C28  1  0.500  0.000  0.584  1.0
  C  C29  1  0.000  0.500  0.416  1.0
  C  C30  1  0.500  0.000  0.817  1.0
  C  C31  1  0.000  0.500  0.183  1.0
  N  N32  1  0.833  0.109  0.286  1.0
  N  N33  1  0.167  0.891  0.286  1.0
  N  N34  1  0.391  0.333  0.286  1.0
  N  N35  1  0.609  0.667  0.286  1.0
  N  N36  1  0.667  0.391  0.714  1.0
  N  N37  1  0.333  0.609  0.714  1.0
  N  N38  1  0.109  0.167  0.714  1.0
  N  N39  1  0.891  0.833  0.714  1.0
[/CIF]
.