The compound 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(4), one Hg(5), and one N(1) atom. In the fourth Hg site, Hg(4) is bonded in a 9-coordinate geometry to one Hg(1), four equivalent Hg(2), and four equivalent Hg(3) atoms. In the fifth Hg site, Hg(5) is bonded in a 4-coordinate geometry to four equivalent Hg(3) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal bipyramidal geometry to one Hg(1) and four equivalent Hg(3) atoms. In the second N site, N(2) is bonded in a trigonal planar 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   13.794
_cell_length_b   13.794
_cell_length_c   13.794
_cell_angle_alpha   148.692
_cell_angle_beta   148.692
_cell_angle_gamma   44.865
_symmetry_Int_Tables_number   1
_cell_volume   706.557
_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  0.742  0.742  0.000  1.0
  Hg  Hg2  1  0.258  0.258  0.000  1.0
  Hg  Hg3  1  0.863  0.474  0.211  1.0
  Hg  Hg4  1  0.263  0.652  0.789  1.0
  Hg  Hg5  1  0.652  0.863  0.389  1.0
  Hg  Hg6  1  0.474  0.263  0.611  1.0
  Hg  Hg7  1  0.137  0.526  0.789  1.0
  Hg  Hg8  1  0.737  0.348  0.211  1.0
  Hg  Hg9  1  0.348  0.137  0.611  1.0
  Hg  Hg10  1  0.526  0.737  0.389  1.0
  Hg  Hg11  1  0.847  0.258  0.809  1.0
  Hg  Hg12  1  0.449  0.038  0.191  1.0
  Hg  Hg13  1  0.038  0.847  0.589  1.0
  Hg  Hg14  1  0.258  0.449  0.411  1.0
  Hg  Hg15  1  0.153  0.742  0.191  1.0
  Hg  Hg16  1  0.551  0.962  0.809  1.0
  Hg  Hg17  1  0.962  0.153  0.411  1.0
  Hg  Hg18  1  0.742  0.551  0.589  1.0
  Hg  Hg19  1  0.636  0.636  0.000  1.0
  Hg  Hg20  1  0.364  0.364  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  0.828  0.828  0.000  1.0
  N  N24  1  0.172  0.172  0.000  1.0
  N  N25  1  0.064  0.721  0.786  1.0
  N  N26  1  0.936  0.279  0.214  1.0
  N  N27  1  0.279  0.064  0.343  1.0
  N  N28  1  0.721  0.936  0.657  1.0
[/CIF]
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The compound 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(4), one Hg(5), and one N(1) atom. In the fourth Hg site, Hg(4) is bonded in a 9-coordinate geometry to one Hg(1), four equivalent Hg(2), and four equivalent Hg(3) atoms. In the fifth Hg site, Hg(5) is bonded in a 4-coordinate geometry to four equivalent Hg(3) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal bipyramidal geometry to one Hg(1) and four equivalent Hg(3) atoms. In the second N site, N(2) is bonded in a trigonal planar 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   13.794
_cell_length_b   13.794
_cell_length_c   13.794
_cell_angle_alpha   148.692
_cell_angle_beta   148.692
_cell_angle_gamma   44.865
_symmetry_Int_Tables_number   1
_cell_volume   706.557
_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  0.742  0.742  0.000  1.0
  Hg  Hg2  1  0.258  0.258  0.000  1.0
  Hg  Hg3  1  0.863  0.474  0.211  1.0
  Hg  Hg4  1  0.263  0.652  0.789  1.0
  Hg  Hg5  1  0.652  0.863  0.389  1.0
  Hg  Hg6  1  0.474  0.263  0.611  1.0
  Hg  Hg7  1  0.137  0.526  0.789  1.0
  Hg  Hg8  1  0.737  0.348  0.211  1.0
  Hg  Hg9  1  0.348  0.137  0.611  1.0
  Hg  Hg10  1  0.526  0.737  0.389  1.0
  Hg  Hg11  1  0.847  0.258  0.809  1.0
  Hg  Hg12  1  0.449  0.038  0.191  1.0
  Hg  Hg13  1  0.038  0.847  0.589  1.0
  Hg  Hg14  1  0.258  0.449  0.411  1.0
  Hg  Hg15  1  0.153  0.742  0.191  1.0
  Hg  Hg16  1  0.551  0.962  0.809  1.0
  Hg  Hg17  1  0.962  0.153  0.411  1.0
  Hg  Hg18  1  0.742  0.551  0.589  1.0
  Hg  Hg19  1  0.636  0.636  0.000  1.0
  Hg  Hg20  1  0.364  0.364  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  0.828  0.828  0.000  1.0
  N  N24  1  0.172  0.172  0.000  1.0
  N  N25  1  0.064  0.721  0.786  1.0
  N  N26  1  0.936  0.279  0.214  1.0
  N  N27  1  0.279  0.064  0.343  1.0
  N  N28  1  0.721  0.936  0.657  1.0
[/CIF]
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