The material described by Mg6CdIn is Uranium Silicide-derived structured and crystallizes in the hexagonal P-6m2 space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four Mg(1,1); four Mg(2,2); two equivalent Cd(1); and two equivalent In(1) atoms to form distorted MgMg8Cd2In2 cuboctahedra that share corners with four equivalent Cd(1)Mg12 cuboctahedra; corners with fourteen Mg(1,1)Mg8Cd2In2 cuboctahedra; edges with two equivalent Cd(1)Mg12 cuboctahedra; edges with four Mg(1,1)Mg8Cd2In2 cuboctahedra; edges with four equivalent In(1)Mg12 cuboctahedra; edges with eight Mg(2,2)Mg8Cd2In2 cuboctahedra; faces with two equivalent Cd(1)Mg12 cuboctahedra; faces with two equivalent In(1)Mg12 cuboctahedra; faces with six Mg(1,1)Mg8Cd2In2 cuboctahedra; and faces with ten Mg(2,2,2)Mg8Cd2In2 cuboctahedra. In the second Mg site, Mg(1) is bonded to four equivalent Mg(1); four Mg(2,2); two equivalent Cd(1); and two equivalent In(1) atoms to form distorted MgMg8Cd2In2 cuboctahedra that share corners with four equivalent Cd(1)Mg12 cuboctahedra; corners with fourteen Mg(1,1)Mg8Cd2In2 cuboctahedra; edges with two equivalent Cd(1)Mg12 cuboctahedra; edges with four equivalent Mg(1)Mg8Cd2In2 cuboctahedra; edges with four equivalent In(1)Mg12 cuboctahedra; edges with eight Mg(2,2)Mg8Cd2In2 cuboctahedra; faces with two equivalent Cd(1)Mg12 cuboctahedra; faces with two equivalent In(1)Mg12 cuboctahedra; faces with six Mg(1,1)Mg8Cd2In2 cuboctahedra; and faces with ten Mg(2,2,2)Mg8Cd2In2 cuboctahedra. In the third Mg site, Mg(2) is bonded to four Mg(1,1); four Mg(2,2); two equivalent Cd(1); and two equivalent In(1) atoms to form distorted MgMg8Cd2In2 cuboctahedra that share corners with four equivalent In(1)Mg12 cuboctahedra; corners with fourteen Mg(2,2,2)Mg8Cd2In2 cuboctahedra; edges with two equivalent In(1)Mg12 cuboctahedra; edges with four Mg(2,2)Mg8Cd2In2 cuboctahedra; edges with four equivalent Cd(1)Mg12 cuboctahedra; edges with eight Mg(1,1)Mg8Cd2In2 cuboctahedra; faces with two equivalent Cd(1)Mg12 cuboctahedra; faces with two equivalent In(1)Mg12 cuboctahedra; faces with six Mg(2,2,2)Mg8Cd2In2 cuboctahedra; and faces with ten Mg(1,1)Mg8Cd2In2 cuboctahedra. In the fourth Mg site, Mg(2) is bonded to four Mg(1,1); four Mg(2,2); two equivalent Cd(1); and two equivalent In(1) atoms to form distorted MgMg8Cd2In2 cuboctahedra that share corners with four equivalent In(1)Mg12 cuboctahedra; corners with fourteen Mg(2,2,2)Mg8Cd2In2 cuboctahedra; edges with two equivalent In(1)Mg12 cuboctahedra; edges with four Mg(2,2)Mg8Cd2In2 cuboctahedra; edges with four equivalent Cd(1)Mg12 cuboctahedra; edges with eight Mg(1,1)Mg8Cd2In2 cuboctahedra; faces with two equivalent Cd(1)Mg12 cuboctahedra; faces with two equivalent In(1)Mg12 cuboctahedra; faces with six Mg(2,2,2)Mg8Cd2In2 cuboctahedra; and faces with ten Mg(1,1)Mg8Cd2In2 cuboctahedra. In the fifth Mg site, Mg(2) is bonded to four equivalent Mg(1); four Mg(2,2); two equivalent Cd(1); and two equivalent In(1) atoms to form distorted MgMg8Cd2In2 cuboctahedra that share corners with four equivalent In(1)Mg12 cuboctahedra; corners with fourteen Mg(2,2,2)Mg8Cd2In2 cuboctahedra; edges with two equivalent In(1)Mg12 cuboctahedra; edges with four Mg(2,2)Mg8Cd2In2 cuboctahedra; edges with four equivalent Cd(1)Mg12 cuboctahedra; edges with eight equivalent Mg(1)Mg8Cd2In2 cuboctahedra; faces with two equivalent Cd(1)Mg12 cuboctahedra; faces with two equivalent In(1)Mg12 cuboctahedra; faces with six Mg(2,2,2)Mg8Cd2In2 cuboctahedra; and faces with ten Mg(1,1)Mg8Cd2In2 cuboctahedra. Cd(1) is bonded to six Mg(1,1) and six Mg(2,2,2) atoms to form CdMg12 cuboctahedra that share corners with six equivalent Cd(1)Mg12 cuboctahedra; corners with twelve Mg(1,1)Mg8Cd2In2 cuboctahedra; edges with six Mg(1,1)Mg8Cd2In2 cuboctahedra; edges with twelve Mg(2,2,2)Mg8Cd2In2 cuboctahedra; faces with two equivalent Cd(1)Mg12 cuboctahedra; faces with six Mg(1,1)Mg8Cd2In2 cuboctahedra; faces with six Mg(2,2,2)Mg8Cd2In2 cuboctahedra; and faces with six equivalent In(1)Mg12 cuboctahedra. In(1) is bonded to six Mg(1,1) and six Mg(2,2,2) atoms to form InMg12 cuboctahedra that share corners with six equivalent In(1)Mg12 cuboctahedra; corners with twelve Mg(2,2,2)Mg8Cd2In2 cuboctahedra; edges with six Mg(2,2,2)Mg8Cd2In2 cuboctahedra; edges with twelve Mg(1,1)Mg8Cd2In2 cuboctahedra; faces with two equivalent In(1)Mg12 cuboctahedra; faces with six Mg(1,1)Mg8Cd2In2 cuboctahedra; faces with six Mg(2,2,2)Mg8Cd2In2 cuboctahedra; and faces with six equivalent Cd(1)Mg12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6CdIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.287
_cell_length_b   6.287
_cell_length_c   5.083
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   173.971
_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
  Mg  Mg0  1  0.667  0.833  0.500  1.0
  Mg  Mg1  1  0.167  0.833  0.500  1.0
  Mg  Mg2  1  0.167  0.333  0.500  1.0
  Mg  Mg3  1  0.335  0.167  0.000  1.0
  Mg  Mg4  1  0.833  0.167  0.000  1.0
  Mg  Mg5  1  0.833  0.665  0.000  1.0
  Cd  Cd6  1  0.667  0.333  0.500  1.0
  In  In7  1  0.333  0.667  0.000  1.0
[/CIF]
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The material described by Mg6CdIn is Uranium Silicide-derived structured and crystallizes in the hexagonal P-6m2 space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four Mg(1,1); four Mg(2,2); two equivalent Cd(1); and two equivalent In(1) atoms to form distorted MgMg8Cd2In2 cuboctahedra that share corners with four equivalent Cd(1)Mg12 cuboctahedra; corners with fourteen Mg(1,1)Mg8Cd2In2 cuboctahedra; edges with two equivalent Cd(1)Mg12 cuboctahedra; edges with four Mg(1,1)Mg8Cd2In2 cuboctahedra; edges with four equivalent In(1)Mg12 cuboctahedra; edges with eight Mg(2,2)Mg8Cd2In2 cuboctahedra; faces with two equivalent Cd(1)Mg12 cuboctahedra; faces with two equivalent In(1)Mg12 cuboctahedra; faces with six Mg(1,1)Mg8Cd2In2 cuboctahedra; and faces with ten Mg(2,2,2)Mg8Cd2In2 cuboctahedra. In the second Mg site, Mg(1) is bonded to four equivalent Mg(1); four Mg(2,2); two equivalent Cd(1); and two equivalent In(1) atoms to form distorted MgMg8Cd2In2 cuboctahedra that share corners with four equivalent Cd(1)Mg12 cuboctahedra; corners with fourteen Mg(1,1)Mg8Cd2In2 cuboctahedra; edges with two equivalent Cd(1)Mg12 cuboctahedra; edges with four equivalent Mg(1)Mg8Cd2In2 cuboctahedra; edges with four equivalent In(1)Mg12 cuboctahedra; edges with eight Mg(2,2)Mg8Cd2In2 cuboctahedra; faces with two equivalent Cd(1)Mg12 cuboctahedra; faces with two equivalent In(1)Mg12 cuboctahedra; faces with six Mg(1,1)Mg8Cd2In2 cuboctahedra; and faces with ten Mg(2,2,2)Mg8Cd2In2 cuboctahedra. In the third Mg site, Mg(2) is bonded to four Mg(1,1); four Mg(2,2); two equivalent Cd(1); and two equivalent In(1) atoms to form distorted MgMg8Cd2In2 cuboctahedra that share corners with four equivalent In(1)Mg12 cuboctahedra; corners with fourteen Mg(2,2,2)Mg8Cd2In2 cuboctahedra; edges with two equivalent In(1)Mg12 cuboctahedra; edges with four Mg(2,2)Mg8Cd2In2 cuboctahedra; edges with four equivalent Cd(1)Mg12 cuboctahedra; edges with eight Mg(1,1)Mg8Cd2In2 cuboctahedra; faces with two equivalent Cd(1)Mg12 cuboctahedra; faces with two equivalent In(1)Mg12 cuboctahedra; faces with six Mg(2,2,2)Mg8Cd2In2 cuboctahedra; and faces with ten Mg(1,1)Mg8Cd2In2 cuboctahedra. In the fourth Mg site, Mg(2) is bonded to four Mg(1,1); four Mg(2,2); two equivalent Cd(1); and two equivalent In(1) atoms to form distorted MgMg8Cd2In2 cuboctahedra that share corners with four equivalent In(1)Mg12 cuboctahedra; corners with fourteen Mg(2,2,2)Mg8Cd2In2 cuboctahedra; edges with two equivalent In(1)Mg12 cuboctahedra; edges with four Mg(2,2)Mg8Cd2In2 cuboctahedra; edges with four equivalent Cd(1)Mg12 cuboctahedra; edges with eight Mg(1,1)Mg8Cd2In2 cuboctahedra; faces with two equivalent Cd(1)Mg12 cuboctahedra; faces with two equivalent In(1)Mg12 cuboctahedra; faces with six Mg(2,2,2)Mg8Cd2In2 cuboctahedra; and faces with ten Mg(1,1)Mg8Cd2In2 cuboctahedra. In the fifth Mg site, Mg(2) is bonded to four equivalent Mg(1); four Mg(2,2); two equivalent Cd(1); and two equivalent In(1) atoms to form distorted MgMg8Cd2In2 cuboctahedra that share corners with four equivalent In(1)Mg12 cuboctahedra; corners with fourteen Mg(2,2,2)Mg8Cd2In2 cuboctahedra; edges with two equivalent In(1)Mg12 cuboctahedra; edges with four Mg(2,2)Mg8Cd2In2 cuboctahedra; edges with four equivalent Cd(1)Mg12 cuboctahedra; edges with eight equivalent Mg(1)Mg8Cd2In2 cuboctahedra; faces with two equivalent Cd(1)Mg12 cuboctahedra; faces with two equivalent In(1)Mg12 cuboctahedra; faces with six Mg(2,2,2)Mg8Cd2In2 cuboctahedra; and faces with ten Mg(1,1)Mg8Cd2In2 cuboctahedra. Cd(1) is bonded to six Mg(1,1) and six Mg(2,2,2) atoms to form CdMg12 cuboctahedra that share corners with six equivalent Cd(1)Mg12 cuboctahedra; corners with twelve Mg(1,1)Mg8Cd2In2 cuboctahedra; edges with six Mg(1,1)Mg8Cd2In2 cuboctahedra; edges with twelve Mg(2,2,2)Mg8Cd2In2 cuboctahedra; faces with two equivalent Cd(1)Mg12 cuboctahedra; faces with six Mg(1,1)Mg8Cd2In2 cuboctahedra; faces with six Mg(2,2,2)Mg8Cd2In2 cuboctahedra; and faces with six equivalent In(1)Mg12 cuboctahedra. In(1) is bonded to six Mg(1,1) and six Mg(2,2,2) atoms to form InMg12 cuboctahedra that share corners with six equivalent In(1)Mg12 cuboctahedra; corners with twelve Mg(2,2,2)Mg8Cd2In2 cuboctahedra; edges with six Mg(2,2,2)Mg8Cd2In2 cuboctahedra; edges with twelve Mg(1,1)Mg8Cd2In2 cuboctahedra; faces with two equivalent In(1)Mg12 cuboctahedra; faces with six Mg(1,1)Mg8Cd2In2 cuboctahedra; faces with six Mg(2,2,2)Mg8Cd2In2 cuboctahedra; and faces with six equivalent Cd(1)Mg12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6CdIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.287
_cell_length_b   6.287
_cell_length_c   5.083
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   173.971
_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
  Mg  Mg0  1  0.667  0.833  0.500  1.0
  Mg  Mg1  1  0.167  0.833  0.500  1.0
  Mg  Mg2  1  0.167  0.333  0.500  1.0
  Mg  Mg3  1  0.335  0.167  0.000  1.0
  Mg  Mg4  1  0.833  0.167  0.000  1.0
  Mg  Mg5  1  0.833  0.665  0.000  1.0
  Cd  Cd6  1  0.667  0.333  0.500  1.0
  In  In7  1  0.333  0.667  0.000  1.0
[/CIF]
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