The crystal structure described by MgNH crystallizes in the hexagonal P6/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of distorted edge and corner-sharing MgN4 tetrahedra. In the second Mg site, Mg(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of edge and corner-sharing MgN4 trigonal pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), and one H(1) atom to form distorted corner-sharing NMg4H trigonal bipyramids. In the second N site, N(2) is bonded in a distorted single-bond geometry to two equivalent Mg(1), two equivalent Mg(2), and one H(2) atom. There are two 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(2) atom. is represented by the CIF file [CIF]
data_MgHN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.607
_cell_length_b   11.607
_cell_length_c   3.715
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   433.439
_cell_formula_units_Z   12
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
  Mg  Mg0  1  0.417  0.135  0.000  1.0
  Mg  Mg1  1  0.865  0.282  0.000  1.0
  Mg  Mg2  1  0.282  0.417  0.000  1.0
  Mg  Mg3  1  0.718  0.583  0.000  1.0
  Mg  Mg4  1  0.135  0.718  0.000  1.0
  Mg  Mg5  1  0.583  0.865  0.000  1.0
  Mg  Mg6  1  0.646  0.071  0.500  1.0
  Mg  Mg7  1  0.425  0.354  0.500  1.0
  Mg  Mg8  1  0.071  0.425  0.500  1.0
  Mg  Mg9  1  0.929  0.575  0.500  1.0
  Mg  Mg10  1  0.575  0.646  0.500  1.0
  Mg  Mg11  1  0.354  0.929  0.500  1.0
  H  H12  1  0.810  0.056  0.000  1.0
  H  H13  1  0.246  0.190  0.000  1.0
  H  H14  1  0.056  0.246  0.000  1.0
  H  H15  1  0.944  0.754  0.000  1.0
  H  H16  1  0.754  0.810  0.000  1.0
  H  H17  1  0.190  0.944  0.000  1.0
  H  H18  1  0.574  0.240  0.500  1.0
  H  H19  1  0.760  0.334  0.500  1.0
  H  H20  1  0.666  0.426  0.500  1.0
  H  H21  1  0.334  0.574  0.500  1.0
  H  H22  1  0.240  0.666  0.500  1.0
  H  H23  1  0.426  0.760  0.500  1.0
  N  N24  1  0.732  0.074  0.000  1.0
  N  N25  1  0.342  0.268  0.000  1.0
  N  N26  1  0.074  0.342  0.000  1.0
  N  N27  1  0.926  0.658  0.000  1.0
  N  N28  1  0.658  0.732  0.000  1.0
  N  N29  1  0.268  0.926  0.000  1.0
  N  N30  1  0.508  0.139  0.500  1.0
  N  N31  1  0.861  0.369  0.500  1.0
  N  N32  1  0.631  0.492  0.500  1.0
  N  N33  1  0.369  0.508  0.500  1.0
  N  N34  1  0.139  0.631  0.500  1.0
  N  N35  1  0.492  0.861  0.500  1.0
[/CIF]
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The crystal structure described by MgNH crystallizes in the hexagonal P6/m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of distorted edge and corner-sharing MgN4 tetrahedra. In the second Mg site, Mg(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of edge and corner-sharing MgN4 trigonal pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), and one H(1) atom to form distorted corner-sharing NMg4H trigonal bipyramids. In the second N site, N(2) is bonded in a distorted single-bond geometry to two equivalent Mg(1), two equivalent Mg(2), and one H(2) atom. There are two 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(2) atom. is represented by the CIF file [CIF]
data_MgHN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.607
_cell_length_b   11.607
_cell_length_c   3.715
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   433.439
_cell_formula_units_Z   12
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
  Mg  Mg0  1  0.417  0.135  0.000  1.0
  Mg  Mg1  1  0.865  0.282  0.000  1.0
  Mg  Mg2  1  0.282  0.417  0.000  1.0
  Mg  Mg3  1  0.718  0.583  0.000  1.0
  Mg  Mg4  1  0.135  0.718  0.000  1.0
  Mg  Mg5  1  0.583  0.865  0.000  1.0
  Mg  Mg6  1  0.646  0.071  0.500  1.0
  Mg  Mg7  1  0.425  0.354  0.500  1.0
  Mg  Mg8  1  0.071  0.425  0.500  1.0
  Mg  Mg9  1  0.929  0.575  0.500  1.0
  Mg  Mg10  1  0.575  0.646  0.500  1.0
  Mg  Mg11  1  0.354  0.929  0.500  1.0
  H  H12  1  0.810  0.056  0.000  1.0
  H  H13  1  0.246  0.190  0.000  1.0
  H  H14  1  0.056  0.246  0.000  1.0
  H  H15  1  0.944  0.754  0.000  1.0
  H  H16  1  0.754  0.810  0.000  1.0
  H  H17  1  0.190  0.944  0.000  1.0
  H  H18  1  0.574  0.240  0.500  1.0
  H  H19  1  0.760  0.334  0.500  1.0
  H  H20  1  0.666  0.426  0.500  1.0
  H  H21  1  0.334  0.574  0.500  1.0
  H  H22  1  0.240  0.666  0.500  1.0
  H  H23  1  0.426  0.760  0.500  1.0
  N  N24  1  0.732  0.074  0.000  1.0
  N  N25  1  0.342  0.268  0.000  1.0
  N  N26  1  0.074  0.342  0.000  1.0
  N  N27  1  0.926  0.658  0.000  1.0
  N  N28  1  0.658  0.732  0.000  1.0
  N  N29  1  0.268  0.926  0.000  1.0
  N  N30  1  0.508  0.139  0.500  1.0
  N  N31  1  0.861  0.369  0.500  1.0
  N  N32  1  0.631  0.492  0.500  1.0
  N  N33  1  0.369  0.508  0.500  1.0
  N  N34  1  0.139  0.631  0.500  1.0
  N  N35  1  0.492  0.861  0.500  1.0
[/CIF]
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