The material structure described by Mn4AuHg3 is beta-prime cadmium gold-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted body-centered cubic geometry to two equivalent Au(1), two equivalent Hg(1), and four equivalent Hg(2) atoms. In the second Mn site, Mn(2) is bonded in a 8-coordinate geometry to two equivalent Au(1), two equivalent Hg(1), and four equivalent Hg(3) atoms. In the third Mn site, Mn(3) is bonded in a distorted body-centered cubic geometry to four equivalent Au(1), two equivalent Hg(2), and two equivalent Hg(3) atoms. In the fourth Mn site, Mn(4) is bonded in a distorted body-centered cubic geometry to two equivalent Hg(2), two equivalent Hg(3), and four equivalent Hg(1) atoms. Au(1) is bonded in a 8-coordinate geometry to two equivalent Mn(1), two equivalent Mn(2), four equivalent Mn(3), and two equivalent Hg(2) atoms. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted body-centered cubic geometry to two equivalent Mn(1), two equivalent Mn(2), and four equivalent Mn(4) atoms. In the second Hg site, Hg(2) is bonded in a 10-coordinate geometry to two equivalent Mn(3), two equivalent Mn(4), four equivalent Mn(1), and two equivalent Au(1) atoms. In the third Hg site, Hg(3) is bonded in a distorted body-centered cubic geometry to two equivalent Mn(3), two equivalent Mn(4), and four equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn4Hg3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.231
_cell_length_b   4.683
_cell_length_c   9.541
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   144.351
_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
  Mn  Mn0  1  0.500  0.500  0.113  1.0
  Mn  Mn1  1  0.500  0.500  0.593  1.0
  Mn  Mn2  1  0.500  0.000  0.394  1.0
  Mn  Mn3  1  0.500  0.000  0.898  1.0
  Hg  Hg4  1  0.000  0.500  0.856  1.0
  Hg  Hg5  1  0.000  0.000  0.146  1.0
  Hg  Hg6  1  0.000  0.000  0.646  1.0
  Au  Au7  1  0.000  0.500  0.354  1.0
[/CIF]
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The material structure described by Mn4AuHg3 is beta-prime cadmium gold-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted body-centered cubic geometry to two equivalent Au(1), two equivalent Hg(1), and four equivalent Hg(2) atoms. In the second Mn site, Mn(2) is bonded in a 8-coordinate geometry to two equivalent Au(1), two equivalent Hg(1), and four equivalent Hg(3) atoms. In the third Mn site, Mn(3) is bonded in a distorted body-centered cubic geometry to four equivalent Au(1), two equivalent Hg(2), and two equivalent Hg(3) atoms. In the fourth Mn site, Mn(4) is bonded in a distorted body-centered cubic geometry to two equivalent Hg(2), two equivalent Hg(3), and four equivalent Hg(1) atoms. Au(1) is bonded in a 8-coordinate geometry to two equivalent Mn(1), two equivalent Mn(2), four equivalent Mn(3), and two equivalent Hg(2) atoms. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted body-centered cubic geometry to two equivalent Mn(1), two equivalent Mn(2), and four equivalent Mn(4) atoms. In the second Hg site, Hg(2) is bonded in a 10-coordinate geometry to two equivalent Mn(3), two equivalent Mn(4), four equivalent Mn(1), and two equivalent Au(1) atoms. In the third Hg site, Hg(3) is bonded in a distorted body-centered cubic geometry to two equivalent Mn(3), two equivalent Mn(4), and four equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn4Hg3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.231
_cell_length_b   4.683
_cell_length_c   9.541
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   144.351
_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
  Mn  Mn0  1  0.500  0.500  0.113  1.0
  Mn  Mn1  1  0.500  0.500  0.593  1.0
  Mn  Mn2  1  0.500  0.000  0.394  1.0
  Mn  Mn3  1  0.500  0.000  0.898  1.0
  Hg  Hg4  1  0.000  0.500  0.856  1.0
  Hg  Hg5  1  0.000  0.000  0.146  1.0
  Hg  Hg6  1  0.000  0.000  0.646  1.0
  Au  Au7  1  0.000  0.500  0.354  1.0
[/CIF]
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