The crystal structure described by Mg3Zr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Mg(1) is bonded to eight equivalent Mg(1) and four equivalent Zr(1) atoms to form MgMg8Zr4 cuboctahedra that share corners with twelve equivalent Mg(1)Mg8Zr4 cuboctahedra, edges with eight equivalent Zr(1)Mg12 cuboctahedra, edges with sixteen equivalent Mg(1)Mg8Zr4 cuboctahedra, faces with four equivalent Zr(1)Mg12 cuboctahedra, and faces with fourteen equivalent Mg(1)Mg8Zr4 cuboctahedra. Zr(1) is bonded to twelve equivalent Mg(1) atoms to form ZrMg12 cuboctahedra that share corners with twelve equivalent Zr(1)Mg12 cuboctahedra, edges with twenty-four equivalent Mg(1)Mg8Zr4 cuboctahedra, faces with six equivalent Zr(1)Mg12 cuboctahedra, and faces with twelve equivalent Mg(1)Mg8Zr4 cuboctahedra. is represented by the CIF card [CIF]
data_Mg3Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.442
_cell_length_b   4.442
_cell_length_c   4.442
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   87.659
_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  0.500  0.500  0.000  1.0
  Mg  Mg1  1  0.500  0.000  0.500  1.0
  Mg  Mg2  1  0.000  0.500  0.500  1.0
  Zr  Zr3  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Mg3Zr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Mg(1) is bonded to eight equivalent Mg(1) and four equivalent Zr(1) atoms to form MgMg8Zr4 cuboctahedra that share corners with twelve equivalent Mg(1)Mg8Zr4 cuboctahedra, edges with eight equivalent Zr(1)Mg12 cuboctahedra, edges with sixteen equivalent Mg(1)Mg8Zr4 cuboctahedra, faces with four equivalent Zr(1)Mg12 cuboctahedra, and faces with fourteen equivalent Mg(1)Mg8Zr4 cuboctahedra. Zr(1) is bonded to twelve equivalent Mg(1) atoms to form ZrMg12 cuboctahedra that share corners with twelve equivalent Zr(1)Mg12 cuboctahedra, edges with twenty-four equivalent Mg(1)Mg8Zr4 cuboctahedra, faces with six equivalent Zr(1)Mg12 cuboctahedra, and faces with twelve equivalent Mg(1)Mg8Zr4 cuboctahedra. is represented by the CIF card [CIF]
data_Mg3Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.442
_cell_length_b   4.442
_cell_length_c   4.442
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   87.659
_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  0.500  0.500  0.000  1.0
  Mg  Mg1  1  0.500  0.000  0.500  1.0
  Mg  Mg2  1  0.000  0.500  0.500  1.0
  Zr  Zr3  1  0.000  0.000  0.000  1.0
[/CIF]
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