The structure described by NaLiB2(NH5)2 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 9-coordinate geometry to one H(10), one H(3), one H(8), two equivalent H(4), two equivalent H(5), and two equivalent H(9) atoms. Li(1) is bonded in a 6-coordinate geometry to one N(2), two equivalent N(1), one H(10), one H(3), and one H(8) atom. There are two inequivalent B sites. In the first B site, B(1) is bonded in a tetrahedral geometry to one N(1), one H(3), one H(4), and one H(5) atom. In the second B site, B(2) is bonded in a tetrahedral geometry to one N(2), one H(10), one H(8), and one H(9) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), one B(1), one H(1), and one H(2) atom. In the second N site, N(2) is bonded in a distorted tetrahedral geometry to one Li(1), one B(2), one H(6), and one H(7) atom. There are ten inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(3) is bonded in a 3-coordinate geometry to one Na(1), one Li(1), and one B(1) atom. In the fourth H site, H(4) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one B(1) atom. In the fifth H site, H(5) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one B(1) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(2) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one N(2) atom. In the eighth H site, H(8) is bonded in a distorted single-bond geometry to one Na(1), one Li(1), and one B(2) atom. In the ninth H site, H(9) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one B(2) atom. In the tenth H site, H(10) is bonded in a 3-coordinate geometry to one Na(1), one Li(1), and one B(2) atom. is represented by the CIF card [CIF]
data_NaLiB2(H5N)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.204
_cell_length_b   7.143
_cell_length_c   8.764
_cell_angle_alpha   103.672
_cell_angle_beta   102.761
_cell_angle_gamma   103.917
_symmetry_Int_Tables_number   1
_cell_volume   293.615
_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
  Na  Na0  1  0.340  0.233  0.014  1.0
  Na  Na1  1  0.660  0.767  0.986  1.0
  Li  Li2  1  0.948  0.562  0.368  1.0
  Li  Li3  1  0.052  0.438  0.632  1.0
  B  B4  1  0.144  0.800  0.804  1.0
  B  B5  1  0.856  0.200  0.196  1.0
  B  B6  1  0.488  0.638  0.252  1.0
  B  B7  1  0.512  0.362  0.748  1.0
  H  H8  1  0.943  0.824  0.573  1.0
  H  H9  1  0.057  0.176  0.427  1.0
  H  H10  1  0.758  0.643  0.622  1.0
  H  H11  1  0.242  0.357  0.378  1.0
  H  H12  1  0.165  0.661  0.863  1.0
  H  H13  1  0.835  0.339  0.137  1.0
  H  H14  1  0.046  0.907  0.894  1.0
  H  H15  1  0.954  0.093  0.106  1.0
  H  H16  1  0.377  0.904  0.812  1.0
  H  H17  1  0.623  0.096  0.188  1.0
  H  H18  1  0.301  0.866  0.326  1.0
  H  H19  1  0.699  0.134  0.674  1.0
  H  H20  1  0.421  0.786  0.476  1.0
  H  H21  1  0.579  0.214  0.524  1.0
  H  H22  1  0.725  0.749  0.271  1.0
  H  H23  1  0.275  0.251  0.729  1.0
  H  H24  1  0.360  0.582  0.104  1.0
  H  H25  1  0.640  0.418  0.896  1.0
  H  H26  1  0.516  0.486  0.290  1.0
  H  H27  1  0.484  0.514  0.710  1.0
  N  N28  1  0.955  0.709  0.622  1.0
  N  N29  1  0.045  0.291  0.378  1.0
  N  N30  1  0.320  0.737  0.353  1.0
  N  N31  1  0.680  0.263  0.647  1.0
[/CIF]
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The structure described by NaLiB2(NH5)2 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 9-coordinate geometry to one H(10), one H(3), one H(8), two equivalent H(4), two equivalent H(5), and two equivalent H(9) atoms. Li(1) is bonded in a 6-coordinate geometry to one N(2), two equivalent N(1), one H(10), one H(3), and one H(8) atom. There are two inequivalent B sites. In the first B site, B(1) is bonded in a tetrahedral geometry to one N(1), one H(3), one H(4), and one H(5) atom. In the second B site, B(2) is bonded in a tetrahedral geometry to one N(2), one H(10), one H(8), and one H(9) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), one B(1), one H(1), and one H(2) atom. In the second N site, N(2) is bonded in a distorted tetrahedral geometry to one Li(1), one B(2), one H(6), and one H(7) atom. There are ten inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(3) is bonded in a 3-coordinate geometry to one Na(1), one Li(1), and one B(1) atom. In the fourth H site, H(4) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one B(1) atom. In the fifth H site, H(5) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one B(1) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(2) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one N(2) atom. In the eighth H site, H(8) is bonded in a distorted single-bond geometry to one Na(1), one Li(1), and one B(2) atom. In the ninth H site, H(9) is bonded in a distorted single-bond geometry to two equivalent Na(1) and one B(2) atom. In the tenth H site, H(10) is bonded in a 3-coordinate geometry to one Na(1), one Li(1), and one B(2) atom. is represented by the CIF card [CIF]
data_NaLiB2(H5N)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.204
_cell_length_b   7.143
_cell_length_c   8.764
_cell_angle_alpha   103.672
_cell_angle_beta   102.761
_cell_angle_gamma   103.917
_symmetry_Int_Tables_number   1
_cell_volume   293.615
_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
  Na  Na0  1  0.340  0.233  0.014  1.0
  Na  Na1  1  0.660  0.767  0.986  1.0
  Li  Li2  1  0.948  0.562  0.368  1.0
  Li  Li3  1  0.052  0.438  0.632  1.0
  B  B4  1  0.144  0.800  0.804  1.0
  B  B5  1  0.856  0.200  0.196  1.0
  B  B6  1  0.488  0.638  0.252  1.0
  B  B7  1  0.512  0.362  0.748  1.0
  H  H8  1  0.943  0.824  0.573  1.0
  H  H9  1  0.057  0.176  0.427  1.0
  H  H10  1  0.758  0.643  0.622  1.0
  H  H11  1  0.242  0.357  0.378  1.0
  H  H12  1  0.165  0.661  0.863  1.0
  H  H13  1  0.835  0.339  0.137  1.0
  H  H14  1  0.046  0.907  0.894  1.0
  H  H15  1  0.954  0.093  0.106  1.0
  H  H16  1  0.377  0.904  0.812  1.0
  H  H17  1  0.623  0.096  0.188  1.0
  H  H18  1  0.301  0.866  0.326  1.0
  H  H19  1  0.699  0.134  0.674  1.0
  H  H20  1  0.421  0.786  0.476  1.0
  H  H21  1  0.579  0.214  0.524  1.0
  H  H22  1  0.725  0.749  0.271  1.0
  H  H23  1  0.275  0.251  0.729  1.0
  H  H24  1  0.360  0.582  0.104  1.0
  H  H25  1  0.640  0.418  0.896  1.0
  H  H26  1  0.516  0.486  0.290  1.0
  H  H27  1  0.484  0.514  0.710  1.0
  N  N28  1  0.955  0.709  0.622  1.0
  N  N29  1  0.045  0.291  0.378  1.0
  N  N30  1  0.320  0.737  0.353  1.0
  N  N31  1  0.680  0.263  0.647  1.0
[/CIF]
.