The compound described by Mn2Hg5 crystallizes in the tetragonal P4/mbm space group. Mn(1) is bonded to two equivalent Mn(1), two equivalent Hg(2), and eight equivalent Hg(1) atoms to form a mixture of distorted corner, face, and edge-sharing MnMn2Hg10 cuboctahedra. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 10-coordinate geometry to four equivalent Mn(1), one Hg(2), and five equivalent Hg(1) atoms. In the second Hg site, Hg(2) is bonded in a 10-coordinate geometry to four equivalent Mn(1), two equivalent Hg(2), and four equivalent Hg(1) atoms. is represented by the CIF file [CIF]
data_Mn2Hg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.005
_cell_length_b   10.005
_cell_length_c   3.017
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   302.009
_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
  Mn  Mn0  1  0.319  0.819  0.500  1.0
  Mn  Mn1  1  0.819  0.681  0.500  1.0
  Mn  Mn2  1  0.181  0.319  0.500  1.0
  Mn  Mn3  1  0.681  0.181  0.500  1.0
  Hg  Hg4  1  0.936  0.203  0.000  1.0
  Hg  Hg5  1  0.797  0.936  0.000  1.0
  Hg  Hg6  1  0.297  0.564  0.000  1.0
  Hg  Hg7  1  0.703  0.436  0.000  1.0
  Hg  Hg8  1  0.564  0.703  0.000  1.0
  Hg  Hg9  1  0.436  0.297  0.000  1.0
  Hg  Hg10  1  0.064  0.797  0.000  1.0
  Hg  Hg11  1  0.203  0.064  0.000  1.0
  Hg  Hg12  1  0.000  0.500  0.000  1.0
  Hg  Hg13  1  0.500  0.000  0.000  1.0
[/CIF]
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The compound described by Mn2Hg5 crystallizes in the tetragonal P4/mbm space group. Mn(1) is bonded to two equivalent Mn(1), two equivalent Hg(2), and eight equivalent Hg(1) atoms to form a mixture of distorted corner, face, and edge-sharing MnMn2Hg10 cuboctahedra. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 10-coordinate geometry to four equivalent Mn(1), one Hg(2), and five equivalent Hg(1) atoms. In the second Hg site, Hg(2) is bonded in a 10-coordinate geometry to four equivalent Mn(1), two equivalent Hg(2), and four equivalent Hg(1) atoms. is represented by the CIF file [CIF]
data_Mn2Hg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.005
_cell_length_b   10.005
_cell_length_c   3.017
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   302.009
_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
  Mn  Mn0  1  0.319  0.819  0.500  1.0
  Mn  Mn1  1  0.819  0.681  0.500  1.0
  Mn  Mn2  1  0.181  0.319  0.500  1.0
  Mn  Mn3  1  0.681  0.181  0.500  1.0
  Hg  Hg4  1  0.936  0.203  0.000  1.0
  Hg  Hg5  1  0.797  0.936  0.000  1.0
  Hg  Hg6  1  0.297  0.564  0.000  1.0
  Hg  Hg7  1  0.703  0.436  0.000  1.0
  Hg  Hg8  1  0.564  0.703  0.000  1.0
  Hg  Hg9  1  0.436  0.297  0.000  1.0
  Hg  Hg10  1  0.064  0.797  0.000  1.0
  Hg  Hg11  1  0.203  0.064  0.000  1.0
  Hg  Hg12  1  0.000  0.500  0.000  1.0
  Hg  Hg13  1  0.500  0.000  0.000  1.0
[/CIF]
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