The material described by MgNb3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Mg(1) is bonded to twelve equivalent Nb(1) atoms to form MgNb12 cuboctahedra that share corners with twelve equivalent Mg(1)Nb12 cuboctahedra, edges with twenty-four equivalent Nb(1)Mg4Nb8 cuboctahedra, faces with six equivalent Mg(1)Nb12 cuboctahedra, and faces with twelve equivalent Nb(1)Mg4Nb8 cuboctahedra. Nb(1) is bonded to four equivalent Mg(1) and eight equivalent Nb(1) atoms to form NbMg4Nb8 cuboctahedra that share corners with twelve equivalent Nb(1)Mg4Nb8 cuboctahedra, edges with eight equivalent Mg(1)Nb12 cuboctahedra, edges with sixteen equivalent Nb(1)Mg4Nb8 cuboctahedra, faces with four equivalent Mg(1)Nb12 cuboctahedra, and faces with fourteen equivalent Nb(1)Mg4Nb8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.202
_cell_length_b   4.202
_cell_length_c   4.202
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   74.190
_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
  Nb  Nb1  1  0.500  0.500  0.000  1.0
  Nb  Nb2  1  0.500  0.000  0.500  1.0
  Nb  Nb3  1  0.000  0.500  0.500  1.0
[/CIF]
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The material described by MgNb3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Mg(1) is bonded to twelve equivalent Nb(1) atoms to form MgNb12 cuboctahedra that share corners with twelve equivalent Mg(1)Nb12 cuboctahedra, edges with twenty-four equivalent Nb(1)Mg4Nb8 cuboctahedra, faces with six equivalent Mg(1)Nb12 cuboctahedra, and faces with twelve equivalent Nb(1)Mg4Nb8 cuboctahedra. Nb(1) is bonded to four equivalent Mg(1) and eight equivalent Nb(1) atoms to form NbMg4Nb8 cuboctahedra that share corners with twelve equivalent Nb(1)Mg4Nb8 cuboctahedra, edges with eight equivalent Mg(1)Nb12 cuboctahedra, edges with sixteen equivalent Nb(1)Mg4Nb8 cuboctahedra, faces with four equivalent Mg(1)Nb12 cuboctahedra, and faces with fourteen equivalent Nb(1)Mg4Nb8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.202
_cell_length_b   4.202
_cell_length_c   4.202
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   74.190
_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
  Nb  Nb1  1  0.500  0.500  0.000  1.0
  Nb  Nb2  1  0.500  0.000  0.500  1.0
  Nb  Nb3  1  0.000  0.500  0.500  1.0
[/CIF]
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