The material structure described by Mg(Hg11N3)2 crystallizes in the tetragonal I4/m space group. Mg(1) is bonded in a square co-planar geometry to four equivalent N(2) atoms. There are five inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a single-bond geometry to one Hg(4) and one N(1) atom. In the second Hg site, Hg(2) is bonded in a single-bond geometry to one Hg(4) and one N(2) atom. In the third Hg site, Hg(3) is bonded in a single-bond geometry to one Hg(5) and one N(1) atom. In the fourth Hg site, Hg(4) is bonded to one Hg(1), one Hg(4), and four equivalent Hg(2) atoms to form HgHg6 octahedra that share  a cornercorner with one N(1)Hg5 square pyramid. In the fifth Hg site, Hg(5) is bonded to four equivalent Hg(3) atoms to form distorted HgHg4 tetrahedra that share corners with four equivalent N(1)Hg5 square pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Hg(1) and four equivalent Hg(3) atoms to form distorted NHg5 square pyramids that share  a cornercorner with one Hg(4)Hg6 octahedra and corners with four equivalent Hg(5)Hg4 tetrahedra. The corner-sharing octahedra are not tilted. In the second N site, N(2) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Hg(2) atoms. is represented by the CIF file [CIF]
data_Mg(Hg11N3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.454
_cell_length_b   11.454
_cell_length_c   11.454
_cell_angle_alpha   136.561
_cell_angle_beta   136.561
_cell_angle_gamma   63.114
_symmetry_Int_Tables_number   1
_cell_volume   701.473
_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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Hg  Hg1  1  0.717  0.717  0.000  1.0
  Hg  Hg2  1  0.283  0.283  0.000  1.0
  Hg  Hg3  1  0.917  0.507  0.268  1.0
  Hg  Hg4  1  0.239  0.649  0.732  1.0
  Hg  Hg5  1  0.649  0.917  0.411  1.0
  Hg  Hg6  1  0.507  0.239  0.589  1.0
  Hg  Hg7  1  0.083  0.493  0.732  1.0
  Hg  Hg8  1  0.761  0.351  0.268  1.0
  Hg  Hg9  1  0.351  0.083  0.589  1.0
  Hg  Hg10  1  0.493  0.761  0.411  1.0
  Hg  Hg11  1  0.882  0.262  0.861  1.0
  Hg  Hg12  1  0.401  0.021  0.139  1.0
  Hg  Hg13  1  0.021  0.882  0.620  1.0
  Hg  Hg14  1  0.262  0.401  0.380  1.0
  Hg  Hg15  1  0.118  0.738  0.139  1.0
  Hg  Hg16  1  0.599  0.979  0.861  1.0
  Hg  Hg17  1  0.979  0.118  0.380  1.0
  Hg  Hg18  1  0.738  0.599  0.620  1.0
  Hg  Hg19  1  0.574  0.574  0.000  1.0
  Hg  Hg20  1  0.426  0.426  0.000  1.0
  Hg  Hg21  1  0.250  0.750  0.500  1.0
  Hg  Hg22  1  0.750  0.250  0.500  1.0
  N  N23  1  0.831  0.831  0.000  1.0
  N  N24  1  0.169  0.169  0.000  1.0
  N  N25  1  0.101  0.755  0.856  1.0
  N  N26  1  0.899  0.245  0.144  1.0
  N  N27  1  0.245  0.101  0.346  1.0
  N  N28  1  0.755  0.899  0.654  1.0
[/CIF]
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The material structure described by Mg(Hg11N3)2 crystallizes in the tetragonal I4/m space group. Mg(1) is bonded in a square co-planar geometry to four equivalent N(2) atoms. There are five inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a single-bond geometry to one Hg(4) and one N(1) atom. In the second Hg site, Hg(2) is bonded in a single-bond geometry to one Hg(4) and one N(2) atom. In the third Hg site, Hg(3) is bonded in a single-bond geometry to one Hg(5) and one N(1) atom. In the fourth Hg site, Hg(4) is bonded to one Hg(1), one Hg(4), and four equivalent Hg(2) atoms to form HgHg6 octahedra that share  a cornercorner with one N(1)Hg5 square pyramid. In the fifth Hg site, Hg(5) is bonded to four equivalent Hg(3) atoms to form distorted HgHg4 tetrahedra that share corners with four equivalent N(1)Hg5 square pyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Hg(1) and four equivalent Hg(3) atoms to form distorted NHg5 square pyramids that share  a cornercorner with one Hg(4)Hg6 octahedra and corners with four equivalent Hg(5)Hg4 tetrahedra. The corner-sharing octahedra are not tilted. In the second N site, N(2) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Hg(2) atoms. is represented by the CIF file [CIF]
data_Mg(Hg11N3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.454
_cell_length_b   11.454
_cell_length_c   11.454
_cell_angle_alpha   136.561
_cell_angle_beta   136.561
_cell_angle_gamma   63.114
_symmetry_Int_Tables_number   1
_cell_volume   701.473
_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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Hg  Hg1  1  0.717  0.717  0.000  1.0
  Hg  Hg2  1  0.283  0.283  0.000  1.0
  Hg  Hg3  1  0.917  0.507  0.268  1.0
  Hg  Hg4  1  0.239  0.649  0.732  1.0
  Hg  Hg5  1  0.649  0.917  0.411  1.0
  Hg  Hg6  1  0.507  0.239  0.589  1.0
  Hg  Hg7  1  0.083  0.493  0.732  1.0
  Hg  Hg8  1  0.761  0.351  0.268  1.0
  Hg  Hg9  1  0.351  0.083  0.589  1.0
  Hg  Hg10  1  0.493  0.761  0.411  1.0
  Hg  Hg11  1  0.882  0.262  0.861  1.0
  Hg  Hg12  1  0.401  0.021  0.139  1.0
  Hg  Hg13  1  0.021  0.882  0.620  1.0
  Hg  Hg14  1  0.262  0.401  0.380  1.0
  Hg  Hg15  1  0.118  0.738  0.139  1.0
  Hg  Hg16  1  0.599  0.979  0.861  1.0
  Hg  Hg17  1  0.979  0.118  0.380  1.0
  Hg  Hg18  1  0.738  0.599  0.620  1.0
  Hg  Hg19  1  0.574  0.574  0.000  1.0
  Hg  Hg20  1  0.426  0.426  0.000  1.0
  Hg  Hg21  1  0.250  0.750  0.500  1.0
  Hg  Hg22  1  0.750  0.250  0.500  1.0
  N  N23  1  0.831  0.831  0.000  1.0
  N  N24  1  0.169  0.169  0.000  1.0
  N  N25  1  0.101  0.755  0.856  1.0
  N  N26  1  0.899  0.245  0.144  1.0
  N  N27  1  0.245  0.101  0.346  1.0
  N  N28  1  0.755  0.899  0.654  1.0
[/CIF]
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