The material described by Mn4AuHg3 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted body-centered cubic geometry to four equivalent Au(1) and four equivalent Hg(1) atoms. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to four equivalent Hg(1) and four equivalent Hg(2) atoms. Au(1) is bonded in a body-centered cubic geometry to eight equivalent Mn(1) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mn(1) and four equivalent Mn(2) atoms. In the second Hg site, Hg(2) is bonded in a body-centered cubic geometry to eight equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_Mn4Hg3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.317
_cell_length_b   3.317
_cell_length_c   13.065
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   143.722
_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  0.116  1.0
  Mn  Mn1  1  0.500  0.500  0.374  1.0
  Mn  Mn2  1  0.500  0.500  0.626  1.0
  Mn  Mn3  1  0.500  0.500  0.884  1.0
  Hg  Hg4  1  0.000  0.000  0.248  1.0
  Hg  Hg5  1  0.000  0.000  0.500  1.0
  Hg  Hg6  1  0.000  0.000  0.752  1.0
  Au  Au7  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Mn4AuHg3 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted body-centered cubic geometry to four equivalent Au(1) and four equivalent Hg(1) atoms. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to four equivalent Hg(1) and four equivalent Hg(2) atoms. Au(1) is bonded in a body-centered cubic geometry to eight equivalent Mn(1) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mn(1) and four equivalent Mn(2) atoms. In the second Hg site, Hg(2) is bonded in a body-centered cubic geometry to eight equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_Mn4Hg3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.317
_cell_length_b   3.317
_cell_length_c   13.065
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   143.722
_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  0.116  1.0
  Mn  Mn1  1  0.500  0.500  0.374  1.0
  Mn  Mn2  1  0.500  0.500  0.626  1.0
  Mn  Mn3  1  0.500  0.500  0.884  1.0
  Hg  Hg4  1  0.000  0.000  0.248  1.0
  Hg  Hg5  1  0.000  0.000  0.500  1.0
  Hg  Hg6  1  0.000  0.000  0.752  1.0
  Au  Au7  1  0.000  0.000  0.000  1.0
[/CIF]
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