The material described by MgNb2 is beta-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to six equivalent Mg(1) and six equivalent Nb(1) atoms to form MgMg6Nb6 cuboctahedra that share corners with six equivalent Mg(1)Mg6Nb6 cuboctahedra, corners with twelve equivalent Nb(1)Mg3Nb9 cuboctahedra, edges with six equivalent Mg(1)Mg6Nb6 cuboctahedra, edges with twelve equivalent Nb(1)Mg3Nb9 cuboctahedra, faces with six equivalent Mg(1)Mg6Nb6 cuboctahedra, and faces with fourteen equivalent Nb(1)Mg3Nb9 cuboctahedra. Nb(1) is bonded to three equivalent Mg(1) and nine equivalent Nb(1) atoms to form NbMg3Nb9 cuboctahedra that share corners with six equivalent Mg(1)Mg6Nb6 cuboctahedra, corners with nine equivalent Nb(1)Mg3Nb9 cuboctahedra, edges with six equivalent Mg(1)Mg6Nb6 cuboctahedra, edges with fifteen equivalent Nb(1)Mg3Nb9 cuboctahedra, faces with seven equivalent Mg(1)Mg6Nb6 cuboctahedra, and faces with twelve equivalent Nb(1)Mg3Nb9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.971
_cell_length_b   7.971
_cell_length_c   7.971
_cell_angle_alpha   21.093
_cell_angle_beta   21.093
_cell_angle_gamma   21.093
_symmetry_Int_Tables_number   1
_cell_volume   57.457
_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  0.778  0.778  0.778  1.0
  Nb  Nb2  1  0.222  0.222  0.222  1.0
[/CIF]
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The material described by MgNb2 is beta-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to six equivalent Mg(1) and six equivalent Nb(1) atoms to form MgMg6Nb6 cuboctahedra that share corners with six equivalent Mg(1)Mg6Nb6 cuboctahedra, corners with twelve equivalent Nb(1)Mg3Nb9 cuboctahedra, edges with six equivalent Mg(1)Mg6Nb6 cuboctahedra, edges with twelve equivalent Nb(1)Mg3Nb9 cuboctahedra, faces with six equivalent Mg(1)Mg6Nb6 cuboctahedra, and faces with fourteen equivalent Nb(1)Mg3Nb9 cuboctahedra. Nb(1) is bonded to three equivalent Mg(1) and nine equivalent Nb(1) atoms to form NbMg3Nb9 cuboctahedra that share corners with six equivalent Mg(1)Mg6Nb6 cuboctahedra, corners with nine equivalent Nb(1)Mg3Nb9 cuboctahedra, edges with six equivalent Mg(1)Mg6Nb6 cuboctahedra, edges with fifteen equivalent Nb(1)Mg3Nb9 cuboctahedra, faces with seven equivalent Mg(1)Mg6Nb6 cuboctahedra, and faces with twelve equivalent Nb(1)Mg3Nb9 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.971
_cell_length_b   7.971
_cell_length_c   7.971
_cell_angle_alpha   21.093
_cell_angle_beta   21.093
_cell_angle_gamma   21.093
_symmetry_Int_Tables_number   1
_cell_volume   57.457
_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  0.778  0.778  0.778  1.0
  Nb  Nb2  1  0.222  0.222  0.222  1.0
[/CIF]
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