The structure described by MgZr2 is alpha Samarium-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to six equivalent Mg(1) and six equivalent Zr(1) atoms to form MgMg6Zr6 cuboctahedra that share corners with six equivalent Mg(1)Mg6Zr6 cuboctahedra, corners with twelve equivalent Zr(1)Mg3Zr9 cuboctahedra, edges with six equivalent Mg(1)Mg6Zr6 cuboctahedra, edges with twelve equivalent Zr(1)Mg3Zr9 cuboctahedra, faces with six equivalent Mg(1)Mg6Zr6 cuboctahedra, and faces with fourteen equivalent Zr(1)Mg3Zr9 cuboctahedra. Zr(1) is bonded to three equivalent Mg(1) and nine equivalent Zr(1) atoms to form ZrMg3Zr9 cuboctahedra that share corners with six equivalent Mg(1)Mg6Zr6 cuboctahedra, corners with nine equivalent Zr(1)Mg3Zr9 cuboctahedra, edges with six equivalent Mg(1)Mg6Zr6 cuboctahedra, edges with fifteen equivalent Zr(1)Mg3Zr9 cuboctahedra, faces with seven equivalent Mg(1)Mg6Zr6 cuboctahedra, and faces with twelve equivalent Zr(1)Mg3Zr9 cuboctahedra. is represented by the CIF file [CIF]
data_MgZr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.997
_cell_length_b   7.997
_cell_length_c   7.997
_cell_angle_alpha   23.323
_cell_angle_beta   23.323
_cell_angle_gamma   23.323
_symmetry_Int_Tables_number   1
_cell_volume   70.395
_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  0.000  0.000  0.000  1.0
  Zr  Zr1  1  0.219  0.219  0.219  1.0
  Zr  Zr2  1  0.781  0.781  0.781  1.0
[/CIF]
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The structure described by MgZr2 is alpha Samarium-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to six equivalent Mg(1) and six equivalent Zr(1) atoms to form MgMg6Zr6 cuboctahedra that share corners with six equivalent Mg(1)Mg6Zr6 cuboctahedra, corners with twelve equivalent Zr(1)Mg3Zr9 cuboctahedra, edges with six equivalent Mg(1)Mg6Zr6 cuboctahedra, edges with twelve equivalent Zr(1)Mg3Zr9 cuboctahedra, faces with six equivalent Mg(1)Mg6Zr6 cuboctahedra, and faces with fourteen equivalent Zr(1)Mg3Zr9 cuboctahedra. Zr(1) is bonded to three equivalent Mg(1) and nine equivalent Zr(1) atoms to form ZrMg3Zr9 cuboctahedra that share corners with six equivalent Mg(1)Mg6Zr6 cuboctahedra, corners with nine equivalent Zr(1)Mg3Zr9 cuboctahedra, edges with six equivalent Mg(1)Mg6Zr6 cuboctahedra, edges with fifteen equivalent Zr(1)Mg3Zr9 cuboctahedra, faces with seven equivalent Mg(1)Mg6Zr6 cuboctahedra, and faces with twelve equivalent Zr(1)Mg3Zr9 cuboctahedra. is represented by the CIF file [CIF]
data_MgZr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.997
_cell_length_b   7.997
_cell_length_c   7.997
_cell_angle_alpha   23.323
_cell_angle_beta   23.323
_cell_angle_gamma   23.323
_symmetry_Int_Tables_number   1
_cell_volume   70.395
_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  0.000  0.000  0.000  1.0
  Zr  Zr1  1  0.219  0.219  0.219  1.0
  Zr  Zr2  1  0.781  0.781  0.781  1.0
[/CIF]
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