The material described by ZrMg is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. Mg(1) is bonded to four equivalent Mg(1) and eight equivalent Zr(1) atoms to form MgMg4Zr8 cuboctahedra that share corners with twelve equivalent Mg(1)Mg4Zr8 cuboctahedra, edges with eight equivalent Mg(1)Mg4Zr8 cuboctahedra, edges with sixteen equivalent Zr(1)Mg8Zr4 cuboctahedra, faces with eight equivalent Zr(1)Mg8Zr4 cuboctahedra, and faces with ten equivalent Mg(1)Mg4Zr8 cuboctahedra. Zr(1) is bonded to eight equivalent Mg(1) and four equivalent Zr(1) atoms to form ZrMg8Zr4 cuboctahedra that share corners with twelve equivalent Zr(1)Mg8Zr4 cuboctahedra, edges with eight equivalent Zr(1)Mg8Zr4 cuboctahedra, edges with sixteen equivalent Mg(1)Mg4Zr8 cuboctahedra, faces with eight equivalent Mg(1)Mg4Zr8 cuboctahedra, and faces with ten equivalent Zr(1)Mg8Zr4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.156
_cell_length_b   3.156
_cell_length_c   4.460
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   44.436
_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  0.500  0.500  0.500  1.0
[/CIF]
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The material described by ZrMg is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. Mg(1) is bonded to four equivalent Mg(1) and eight equivalent Zr(1) atoms to form MgMg4Zr8 cuboctahedra that share corners with twelve equivalent Mg(1)Mg4Zr8 cuboctahedra, edges with eight equivalent Mg(1)Mg4Zr8 cuboctahedra, edges with sixteen equivalent Zr(1)Mg8Zr4 cuboctahedra, faces with eight equivalent Zr(1)Mg8Zr4 cuboctahedra, and faces with ten equivalent Mg(1)Mg4Zr8 cuboctahedra. Zr(1) is bonded to eight equivalent Mg(1) and four equivalent Zr(1) atoms to form ZrMg8Zr4 cuboctahedra that share corners with twelve equivalent Zr(1)Mg8Zr4 cuboctahedra, edges with eight equivalent Zr(1)Mg8Zr4 cuboctahedra, edges with sixteen equivalent Mg(1)Mg4Zr8 cuboctahedra, faces with eight equivalent Mg(1)Mg4Zr8 cuboctahedra, and faces with ten equivalent Zr(1)Mg8Zr4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.156
_cell_length_b   3.156
_cell_length_c   4.460
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   44.436
_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  0.500  0.500  0.500  1.0
[/CIF]
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