The material described by YMg3 is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to six equivalent Mg(1) and six equivalent Mg(2) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with twelve equivalent Y(1)Y6Mg6 cuboctahedra, edges with six equivalent Mg(1)Mg12 cuboctahedra, edges with twelve equivalent Mg(2)Y3Mg9 cuboctahedra, faces with two equivalent Y(1)Y6Mg6 cuboctahedra, faces with six equivalent Mg(1)Mg12 cuboctahedra, and faces with twelve equivalent Mg(2)Y3Mg9 cuboctahedra. In the second Mg site, Mg(2) is bonded to three equivalent Mg(1), six equivalent Mg(2), and three equivalent Y(1) atoms to form MgY3Mg9 cuboctahedra that share corners with eighteen equivalent Mg(2)Y3Mg9 cuboctahedra, edges with six equivalent Mg(1)Mg12 cuboctahedra, edges with six equivalent Mg(2)Y3Mg9 cuboctahedra, edges with six equivalent Y(1)Y6Mg6 cuboctahedra, faces with six equivalent Mg(1)Mg12 cuboctahedra, faces with six equivalent Y(1)Y6Mg6 cuboctahedra, and faces with eight equivalent Mg(2)Y3Mg9 cuboctahedra. Y(1) is bonded to six equivalent Mg(2) and six equivalent Y(1) atoms to form YY6Mg6 cuboctahedra that share corners with six equivalent Y(1)Y6Mg6 cuboctahedra, corners with twelve equivalent Mg(1)Mg12 cuboctahedra, edges with six equivalent Y(1)Y6Mg6 cuboctahedra, edges with twelve equivalent Mg(2)Y3Mg9 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with six equivalent Y(1)Y6Mg6 cuboctahedra, and faces with twelve equivalent Mg(2)Y3Mg9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YMg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.308
_cell_length_b   3.308
_cell_length_c   10.932
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   103.602
_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
  Y  Y0  1  0.667  0.333  0.500  1.0
  Mg  Mg1  1  0.667  0.333  0.000  1.0
  Mg  Mg2  1  0.333  0.667  0.242  1.0
  Mg  Mg3  1  0.333  0.667  0.758  1.0
[/CIF]
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The material described by YMg3 is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to six equivalent Mg(1) and six equivalent Mg(2) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with twelve equivalent Y(1)Y6Mg6 cuboctahedra, edges with six equivalent Mg(1)Mg12 cuboctahedra, edges with twelve equivalent Mg(2)Y3Mg9 cuboctahedra, faces with two equivalent Y(1)Y6Mg6 cuboctahedra, faces with six equivalent Mg(1)Mg12 cuboctahedra, and faces with twelve equivalent Mg(2)Y3Mg9 cuboctahedra. In the second Mg site, Mg(2) is bonded to three equivalent Mg(1), six equivalent Mg(2), and three equivalent Y(1) atoms to form MgY3Mg9 cuboctahedra that share corners with eighteen equivalent Mg(2)Y3Mg9 cuboctahedra, edges with six equivalent Mg(1)Mg12 cuboctahedra, edges with six equivalent Mg(2)Y3Mg9 cuboctahedra, edges with six equivalent Y(1)Y6Mg6 cuboctahedra, faces with six equivalent Mg(1)Mg12 cuboctahedra, faces with six equivalent Y(1)Y6Mg6 cuboctahedra, and faces with eight equivalent Mg(2)Y3Mg9 cuboctahedra. Y(1) is bonded to six equivalent Mg(2) and six equivalent Y(1) atoms to form YY6Mg6 cuboctahedra that share corners with six equivalent Y(1)Y6Mg6 cuboctahedra, corners with twelve equivalent Mg(1)Mg12 cuboctahedra, edges with six equivalent Y(1)Y6Mg6 cuboctahedra, edges with twelve equivalent Mg(2)Y3Mg9 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with six equivalent Y(1)Y6Mg6 cuboctahedra, and faces with twelve equivalent Mg(2)Y3Mg9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_YMg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.308
_cell_length_b   3.308
_cell_length_c   10.932
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   103.602
_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
  Y  Y0  1  0.667  0.333  0.500  1.0
  Mg  Mg1  1  0.667  0.333  0.000  1.0
  Mg  Mg2  1  0.333  0.667  0.242  1.0
  Mg  Mg3  1  0.333  0.667  0.758  1.0
[/CIF]
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