The material described by LiBeF4NH2NH3 crystallizes in the orthorhombic Pna2_1 space group. The structure consists of four ammonia molecules and four ammonia molecules inside a LiBeF4 framework. In the LiBeF4 framework, Li(1) is bonded to one F(1), one F(2), one F(3), and one F(4) atom to form LiF4 tetrahedra that share corners with four equivalent Be(1)F4 tetrahedra. Be(1) is bonded to one F(1), one F(2), one F(3), and one F(4) atom to form BeF4 tetrahedra that share corners with four equivalent Li(1)F4 tetrahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Li(1) and one Be(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(1) and one Be(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(1) and one Be(1) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one Li(1) and one Be(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiBeH5(NF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.169
_cell_length_b   8.957
_cell_length_c   9.926
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   459.532
_cell_formula_units_Z   4
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  0.260  0.065  0.821  1.0
  Li  Li1  1  0.760  0.935  0.179  1.0
  Li  Li2  1  0.760  0.565  0.679  1.0
  Li  Li3  1  0.260  0.435  0.321  1.0
  Be  Be4  1  0.255  0.372  0.659  1.0
  Be  Be5  1  0.755  0.628  0.341  1.0
  Be  Be6  1  0.755  0.872  0.841  1.0
  Be  Be7  1  0.255  0.128  0.159  1.0
  H  H8  1  0.791  0.118  0.618  1.0
  H  H9  1  0.291  0.882  0.382  1.0
  H  H10  1  0.291  0.618  0.882  1.0
  H  H11  1  0.791  0.382  0.118  1.0
  H  H12  1  0.567  0.043  0.519  1.0
  H  H13  1  0.067  0.957  0.481  1.0
  H  H14  1  0.067  0.543  0.981  1.0
  H  H15  1  0.567  0.457  0.019  1.0
  H  H16  1  0.706  0.306  0.842  1.0
  H  H17  1  0.206  0.694  0.158  1.0
  H  H18  1  0.206  0.806  0.658  1.0
  H  H19  1  0.706  0.194  0.342  1.0
  H  H20  1  0.927  0.227  0.947  1.0
  H  H21  1  0.427  0.773  0.053  1.0
  H  H22  1  0.427  0.727  0.553  1.0
  H  H23  1  0.927  0.273  0.447  1.0
  H  H24  1  0.607  0.202  0.973  1.0
  H  H25  1  0.107  0.798  0.027  1.0
  H  H26  1  0.107  0.702  0.527  1.0
  H  H27  1  0.607  0.298  0.473  1.0
  N  N28  1  0.752  0.087  0.521  1.0
  N  N29  1  0.252  0.913  0.479  1.0
  N  N30  1  0.252  0.587  0.979  1.0
  N  N31  1  0.752  0.413  0.021  1.0
  N  N32  1  0.746  0.278  0.942  1.0
  N  N33  1  0.246  0.722  0.058  1.0
  N  N34  1  0.246  0.778  0.558  1.0
  N  N35  1  0.746  0.222  0.442  1.0
  F  F36  1  0.551  0.392  0.696  1.0
  F  F37  1  0.051  0.608  0.304  1.0
  F  F38  1  0.051  0.892  0.804  1.0
  F  F39  1  0.551  0.108  0.196  1.0
  F  F40  1  0.233  0.356  0.500  1.0
  F  F41  1  0.733  0.644  0.500  1.0
  F  F42  1  0.733  0.856  0.000  1.0
  F  F43  1  0.233  0.144  1.000  1.0
  F  F44  1  0.143  0.229  0.725  1.0
  F  F45  1  0.643  0.771  0.275  1.0
  F  F46  1  0.643  0.729  0.775  1.0
  F  F47  1  0.143  0.271  0.225  1.0
  F  F48  1  0.606  0.015  0.797  1.0
  F  F49  1  0.106  0.985  0.203  1.0
  F  F50  1  0.106  0.515  0.703  1.0
  F  F51  1  0.606  0.485  0.297  1.0
[/CIF]
.
The material described by LiBeF4NH2NH3 crystallizes in the orthorhombic Pna2_1 space group. The structure consists of four ammonia molecules and four ammonia molecules inside a LiBeF4 framework. In the LiBeF4 framework, Li(1) is bonded to one F(1), one F(2), one F(3), and one F(4) atom to form LiF4 tetrahedra that share corners with four equivalent Be(1)F4 tetrahedra. Be(1) is bonded to one F(1), one F(2), one F(3), and one F(4) atom to form BeF4 tetrahedra that share corners with four equivalent Li(1)F4 tetrahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Li(1) and one Be(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(1) and one Be(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(1) and one Be(1) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one Li(1) and one Be(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiBeH5(NF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.169
_cell_length_b   8.957
_cell_length_c   9.926
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   459.532
_cell_formula_units_Z   4
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  0.260  0.065  0.821  1.0
  Li  Li1  1  0.760  0.935  0.179  1.0
  Li  Li2  1  0.760  0.565  0.679  1.0
  Li  Li3  1  0.260  0.435  0.321  1.0
  Be  Be4  1  0.255  0.372  0.659  1.0
  Be  Be5  1  0.755  0.628  0.341  1.0
  Be  Be6  1  0.755  0.872  0.841  1.0
  Be  Be7  1  0.255  0.128  0.159  1.0
  H  H8  1  0.791  0.118  0.618  1.0
  H  H9  1  0.291  0.882  0.382  1.0
  H  H10  1  0.291  0.618  0.882  1.0
  H  H11  1  0.791  0.382  0.118  1.0
  H  H12  1  0.567  0.043  0.519  1.0
  H  H13  1  0.067  0.957  0.481  1.0
  H  H14  1  0.067  0.543  0.981  1.0
  H  H15  1  0.567  0.457  0.019  1.0
  H  H16  1  0.706  0.306  0.842  1.0
  H  H17  1  0.206  0.694  0.158  1.0
  H  H18  1  0.206  0.806  0.658  1.0
  H  H19  1  0.706  0.194  0.342  1.0
  H  H20  1  0.927  0.227  0.947  1.0
  H  H21  1  0.427  0.773  0.053  1.0
  H  H22  1  0.427  0.727  0.553  1.0
  H  H23  1  0.927  0.273  0.447  1.0
  H  H24  1  0.607  0.202  0.973  1.0
  H  H25  1  0.107  0.798  0.027  1.0
  H  H26  1  0.107  0.702  0.527  1.0
  H  H27  1  0.607  0.298  0.473  1.0
  N  N28  1  0.752  0.087  0.521  1.0
  N  N29  1  0.252  0.913  0.479  1.0
  N  N30  1  0.252  0.587  0.979  1.0
  N  N31  1  0.752  0.413  0.021  1.0
  N  N32  1  0.746  0.278  0.942  1.0
  N  N33  1  0.246  0.722  0.058  1.0
  N  N34  1  0.246  0.778  0.558  1.0
  N  N35  1  0.746  0.222  0.442  1.0
  F  F36  1  0.551  0.392  0.696  1.0
  F  F37  1  0.051  0.608  0.304  1.0
  F  F38  1  0.051  0.892  0.804  1.0
  F  F39  1  0.551  0.108  0.196  1.0
  F  F40  1  0.233  0.356  0.500  1.0
  F  F41  1  0.733  0.644  0.500  1.0
  F  F42  1  0.733  0.856  0.000  1.0
  F  F43  1  0.233  0.144  1.000  1.0
  F  F44  1  0.143  0.229  0.725  1.0
  F  F45  1  0.643  0.771  0.275  1.0
  F  F46  1  0.643  0.729  0.775  1.0
  F  F47  1  0.143  0.271  0.225  1.0
  F  F48  1  0.606  0.015  0.797  1.0
  F  F49  1  0.106  0.985  0.203  1.0
  F  F50  1  0.106  0.515  0.703  1.0
  F  F51  1  0.606  0.485  0.297  1.0
[/CIF]
.