The material structure described by Mg5Ce2Au crystallizes in the trigonal R-3m space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 7-coordinate geometry to one Mg(3), four equivalent Ce(1), and three equivalent Au(1) atoms. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to three equivalent Mg(3), four equivalent Ce(1), and one Au(1) atom. In the third Mg site, Mg(3) is bonded in a 14-coordinate geometry to two equivalent Mg(1), six equivalent Mg(2), and six equivalent Ce(1) atoms. Ce(1) is bonded in a 14-coordinate geometry to three equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and three equivalent Au(1) atoms. Au(1) is bonded in a body-centered cubic geometry to two equivalent Mg(2), six equivalent Mg(1), and six equivalent Ce(1) atoms. is represented by the CIF card [CIF]
data_Ce2Mg5Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.895
_cell_length_b   8.895
_cell_length_c   8.895
_cell_angle_alpha   33.420
_cell_angle_beta   33.420
_cell_angle_gamma   33.420
_symmetry_Int_Tables_number   1
_cell_volume   190.101
_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
  Ce  Ce0  1  0.252  0.252  0.252  1.0
  Ce  Ce1  1  0.748  0.748  0.748  1.0
  Mg  Mg2  1  0.871  0.871  0.871  1.0
  Mg  Mg3  1  0.379  0.379  0.379  1.0
  Mg  Mg4  1  0.129  0.129  0.129  1.0
  Mg  Mg5  1  0.621  0.621  0.621  1.0
  Mg  Mg6  1  0.000  0.000  0.000  1.0
  Au  Au7  1  0.500  0.500  0.500  1.0
[/CIF]
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The material structure described by Mg5Ce2Au crystallizes in the trigonal R-3m space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 7-coordinate geometry to one Mg(3), four equivalent Ce(1), and three equivalent Au(1) atoms. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to three equivalent Mg(3), four equivalent Ce(1), and one Au(1) atom. In the third Mg site, Mg(3) is bonded in a 14-coordinate geometry to two equivalent Mg(1), six equivalent Mg(2), and six equivalent Ce(1) atoms. Ce(1) is bonded in a 14-coordinate geometry to three equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and three equivalent Au(1) atoms. Au(1) is bonded in a body-centered cubic geometry to two equivalent Mg(2), six equivalent Mg(1), and six equivalent Ce(1) atoms. is represented by the CIF card [CIF]
data_Ce2Mg5Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.895
_cell_length_b   8.895
_cell_length_c   8.895
_cell_angle_alpha   33.420
_cell_angle_beta   33.420
_cell_angle_gamma   33.420
_symmetry_Int_Tables_number   1
_cell_volume   190.101
_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
  Ce  Ce0  1  0.252  0.252  0.252  1.0
  Ce  Ce1  1  0.748  0.748  0.748  1.0
  Mg  Mg2  1  0.871  0.871  0.871  1.0
  Mg  Mg3  1  0.379  0.379  0.379  1.0
  Mg  Mg4  1  0.129  0.129  0.129  1.0
  Mg  Mg5  1  0.621  0.621  0.621  1.0
  Mg  Mg6  1  0.000  0.000  0.000  1.0
  Au  Au7  1  0.500  0.500  0.500  1.0
[/CIF]
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