The crystal structure described by Mg2Cu is Khatyrkite-like structured and crystallizes in the orthorhombic Fddd space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 4-coordinate geometry to four equivalent Cu(1) atoms. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to four equivalent Cu(1) atoms. Cu(1) is bonded in a 10-coordinate geometry to four equivalent Mg(1), four equivalent Mg(2), and two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.171
_cell_length_b   5.171
_cell_length_c   9.464
_cell_angle_alpha   97.991
_cell_angle_beta   97.991
_cell_angle_gamma   119.417
_symmetry_Int_Tables_number   1
_cell_volume   211.918
_cell_formula_units_Z   4
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  0.459  0.709  0.418  1.0
  Mg  Mg1  1  0.291  0.541  0.082  1.0
  Mg  Mg2  1  0.541  0.291  0.582  1.0
  Mg  Mg3  1  0.709  0.459  0.918  1.0
  Mg  Mg4  1  0.291  0.709  0.750  1.0
  Mg  Mg5  1  0.959  0.041  0.750  1.0
  Mg  Mg6  1  0.709  0.291  0.250  1.0
  Mg  Mg7  1  0.041  0.959  0.250  1.0
  Cu  Cu8  1  0.002  0.252  0.503  1.0
  Cu  Cu9  1  0.748  0.998  0.997  1.0
  Cu  Cu10  1  0.998  0.748  0.497  1.0
  Cu  Cu11  1  0.252  0.002  0.003  1.0
[/CIF]
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The crystal structure described by Mg2Cu is Khatyrkite-like structured and crystallizes in the orthorhombic Fddd space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 4-coordinate geometry to four equivalent Cu(1) atoms. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to four equivalent Cu(1) atoms. Cu(1) is bonded in a 10-coordinate geometry to four equivalent Mg(1), four equivalent Mg(2), and two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.171
_cell_length_b   5.171
_cell_length_c   9.464
_cell_angle_alpha   97.991
_cell_angle_beta   97.991
_cell_angle_gamma   119.417
_symmetry_Int_Tables_number   1
_cell_volume   211.918
_cell_formula_units_Z   4
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  0.459  0.709  0.418  1.0
  Mg  Mg1  1  0.291  0.541  0.082  1.0
  Mg  Mg2  1  0.541  0.291  0.582  1.0
  Mg  Mg3  1  0.709  0.459  0.918  1.0
  Mg  Mg4  1  0.291  0.709  0.750  1.0
  Mg  Mg5  1  0.959  0.041  0.750  1.0
  Mg  Mg6  1  0.709  0.291  0.250  1.0
  Mg  Mg7  1  0.041  0.959  0.250  1.0
  Cu  Cu8  1  0.002  0.252  0.503  1.0
  Cu  Cu9  1  0.748  0.998  0.997  1.0
  Cu  Cu10  1  0.998  0.748  0.497  1.0
  Cu  Cu11  1  0.252  0.002  0.003  1.0
[/CIF]
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