The material structure described by Li4Mg(NH)3 crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one N(1) and three equivalent N(2) atoms to form LiN4 tetrahedra that share  a cornercorner with one Mg(1)N4 tetrahedra, corners with seven equivalent Li(1)N4 tetrahedra, and edges with two equivalent Mg(1)N4 tetrahedra. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one N(2), one H(1), and two equivalent H(2) atoms. Mg(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted MgN4 tetrahedra that share corners with two equivalent Li(1)N4 tetrahedra, corners with two equivalent Mg(1)N4 tetrahedra, and edges with four equivalent Li(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to two equivalent Li(1), two equivalent Mg(1), and one H(1) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to one Li(2), three equivalent Li(1), one Mg(1), and one H(2) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to two equivalent Li(2) and one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to two equivalent Li(2) and one N(2) atom. is represented by the CIF card [CIF]
data_Li4Mg(HN)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.689
_cell_length_b   4.804
_cell_length_c   6.150
_cell_angle_alpha   112.991
_cell_angle_beta   107.456
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   94.860
_cell_formula_units_Z   1
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  0.672  0.671  0.344  1.0
  Li  Li1  1  0.328  0.327  0.656  1.0
  Li  Li2  1  0.319  0.818  0.638  1.0
  Li  Li3  1  0.681  0.180  0.362  1.0
  Mg  Mg4  1  0.000  0.475  0.000  1.0
  H  H5  1  0.500  0.059  0.000  1.0
  H  H6  1  0.107  0.009  0.213  1.0
  H  H7  1  0.893  0.796  0.787  1.0
  N  N8  1  0.500  0.273  0.000  1.0
  N  N9  1  0.167  0.902  0.334  1.0
  N  N10  1  0.833  0.567  0.666  1.0
[/CIF]
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The material structure described by Li4Mg(NH)3 crystallizes in the orthorhombic Imm2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one N(1) and three equivalent N(2) atoms to form LiN4 tetrahedra that share  a cornercorner with one Mg(1)N4 tetrahedra, corners with seven equivalent Li(1)N4 tetrahedra, and edges with two equivalent Mg(1)N4 tetrahedra. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one N(2), one H(1), and two equivalent H(2) atoms. Mg(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted MgN4 tetrahedra that share corners with two equivalent Li(1)N4 tetrahedra, corners with two equivalent Mg(1)N4 tetrahedra, and edges with four equivalent Li(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to two equivalent Li(1), two equivalent Mg(1), and one H(1) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to one Li(2), three equivalent Li(1), one Mg(1), and one H(2) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to two equivalent Li(2) and one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to two equivalent Li(2) and one N(2) atom. is represented by the CIF card [CIF]
data_Li4Mg(HN)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.689
_cell_length_b   4.804
_cell_length_c   6.150
_cell_angle_alpha   112.991
_cell_angle_beta   107.456
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   94.860
_cell_formula_units_Z   1
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  0.672  0.671  0.344  1.0
  Li  Li1  1  0.328  0.327  0.656  1.0
  Li  Li2  1  0.319  0.818  0.638  1.0
  Li  Li3  1  0.681  0.180  0.362  1.0
  Mg  Mg4  1  0.000  0.475  0.000  1.0
  H  H5  1  0.500  0.059  0.000  1.0
  H  H6  1  0.107  0.009  0.213  1.0
  H  H7  1  0.893  0.796  0.787  1.0
  N  N8  1  0.500  0.273  0.000  1.0
  N  N9  1  0.167  0.902  0.334  1.0
  N  N10  1  0.833  0.567  0.666  1.0
[/CIF]
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