The structure described by NaMg14Fe crystallizes in the hexagonal P-6m2 space group. Na(1) is bonded to six Mg(2,2,2) and six Mg(3,3) atoms to form NaMg12 cuboctahedra that share corners with six equivalent Na(1)Mg12 cuboctahedra; corners with twelve equivalent Mg(1)Mg10Fe2 cuboctahedra; edges with six Mg(2,2,2)Na2Mg10 cuboctahedra; faces with two equivalent Fe(1)Mg12 cuboctahedra; faces with six equivalent Mg(4)Mg12 cuboctahedra; and faces with six Mg(2,2,2)Na2Mg10 cuboctahedra. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(4); four equivalent Mg(1); four Mg(3,3); and two equivalent Fe(1) atoms to form distorted MgMg10Fe2 cuboctahedra that share corners with four equivalent Na(1)Mg12 cuboctahedra; corners with six equivalent Mg(1)Mg10Fe2 cuboctahedra; corners with eight Mg(2,2)Na2Mg10 cuboctahedra; edges with two equivalent Fe(1)Mg12 cuboctahedra; edges with four equivalent Mg(1)Mg10Fe2 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mg(2)Na2Mg10 cuboctahedra; faces with two equivalent Fe(1)Mg12 cuboctahedra; and faces with four equivalent Mg(1)Mg10Fe2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Na(1); two equivalent Mg(4); four Mg(2,2); and four Mg(3,3) atoms to form distorted MgNa2Mg10 cuboctahedra that share corners with four equivalent Fe(1)Mg12 cuboctahedra; corners with six equivalent Mg(2)Na2Mg10 cuboctahedra; corners with eight equivalent Mg(1)Mg10Fe2 cuboctahedra; edges with two equivalent Na(1)Mg12 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with four Mg(2,2)Na2Mg10 cuboctahedra; faces with two equivalent Na(1)Mg12 cuboctahedra; faces with two equivalent Mg(1)Mg10Fe2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; and faces with four Mg(2,2)Na2Mg10 cuboctahedra. In the third Mg site, Mg(2) is bonded to two equivalent Na(1); two equivalent Mg(4); four Mg(2,2); and four equivalent Mg(3) atoms to form distorted MgNa2Mg10 cuboctahedra that share corners with four equivalent Fe(1)Mg12 cuboctahedra; corners with six equivalent Mg(2)Na2Mg10 cuboctahedra; corners with eight equivalent Mg(1)Mg10Fe2 cuboctahedra; edges with two equivalent Na(1)Mg12 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with four Mg(2,2)Na2Mg10 cuboctahedra; faces with two equivalent Na(1)Mg12 cuboctahedra; faces with two equivalent Mg(1)Mg10Fe2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; and faces with four Mg(2,2)Na2Mg10 cuboctahedra. In the fourth Mg site, Mg(2) is bonded to two equivalent Na(1); two equivalent Mg(4); four Mg(2,2); and four Mg(3,3) atoms to form distorted MgNa2Mg10 cuboctahedra that share corners with four equivalent Fe(1)Mg12 cuboctahedra; corners with six equivalent Mg(2)Na2Mg10 cuboctahedra; corners with eight equivalent Mg(1)Mg10Fe2 cuboctahedra; edges with two equivalent Na(1)Mg12 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with four Mg(2,2)Na2Mg10 cuboctahedra; faces with two equivalent Na(1)Mg12 cuboctahedra; faces with two equivalent Mg(1)Mg10Fe2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; and faces with four Mg(2,2)Na2Mg10 cuboctahedra. In the fifth Mg site, Mg(3) is bonded in a 12-coordinate geometry to one Na(1); two equivalent Mg(1); two Mg(2,2); two equivalent Mg(4); four Mg(3,3); and one Fe(1) atom. In the sixth Mg site, Mg(3) is bonded in a 12-coordinate geometry to one Na(1); two equivalent Mg(1); two Mg(2,2); two equivalent Mg(4); four equivalent Mg(3); and one Fe(1) atom. In the seventh Mg site, Mg(4) is bonded to three equivalent Mg(1); three Mg(2,2,2); and six Mg(3,3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10Fe2 cuboctahedra; edges with six Mg(2,2,2)Na2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with three equivalent Na(1)Mg12 cuboctahedra; faces with three equivalent Mg(1)Mg10Fe2 cuboctahedra; faces with three Mg(2,2,2)Na2Mg10 cuboctahedra; and faces with three equivalent Fe(1)Mg12 cuboctahedra. Fe(1) is bonded to six equivalent Mg(1) and six Mg(3,3) atoms to form FeMg12 cuboctahedra that share corners with six equivalent Fe(1)Mg12 cuboctahedra; corners with twelve Mg(2,2,2)Na2Mg10 cuboctahedra; edges with six equivalent Mg(1)Mg10Fe2 cuboctahedra; faces with two equivalent Na(1)Mg12 cuboctahedra; faces with six equivalent Mg(1)Mg10Fe2 cuboctahedra; and faces with six equivalent Mg(4)Mg12 cuboctahedra. is represented by the CIF file [CIF]
data_NaMg14Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.399
_cell_length_b   6.399
_cell_length_c   9.986
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   354.130
_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
  Na  Na0  1  0.167  0.333  0.625  1.0
  Mg  Mg1  1  0.160  0.830  0.125  1.0
  Mg  Mg2  1  0.174  0.837  0.625  1.0
  Mg  Mg3  1  0.670  0.340  0.125  1.0
  Mg  Mg4  1  0.663  0.326  0.625  1.0
  Mg  Mg5  1  0.670  0.830  0.125  1.0
  Mg  Mg6  1  0.663  0.837  0.625  1.0
  Mg  Mg7  1  0.327  0.173  0.356  1.0
  Mg  Mg8  1  0.327  0.173  0.894  1.0
  Mg  Mg9  1  0.327  0.653  0.356  1.0
  Mg  Mg10  1  0.327  0.653  0.894  1.0
  Mg  Mg11  1  0.847  0.173  0.356  1.0
  Mg  Mg12  1  0.847  0.173  0.894  1.0
  Mg  Mg13  1  0.833  0.667  0.380  1.0
  Mg  Mg14  1  0.833  0.667  0.870  1.0
  Fe  Fe15  1  0.167  0.333  0.125  1.0
[/CIF]
.
The structure described by NaMg14Fe crystallizes in the hexagonal P-6m2 space group. Na(1) is bonded to six Mg(2,2,2) and six Mg(3,3) atoms to form NaMg12 cuboctahedra that share corners with six equivalent Na(1)Mg12 cuboctahedra; corners with twelve equivalent Mg(1)Mg10Fe2 cuboctahedra; edges with six Mg(2,2,2)Na2Mg10 cuboctahedra; faces with two equivalent Fe(1)Mg12 cuboctahedra; faces with six equivalent Mg(4)Mg12 cuboctahedra; and faces with six Mg(2,2,2)Na2Mg10 cuboctahedra. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(4); four equivalent Mg(1); four Mg(3,3); and two equivalent Fe(1) atoms to form distorted MgMg10Fe2 cuboctahedra that share corners with four equivalent Na(1)Mg12 cuboctahedra; corners with six equivalent Mg(1)Mg10Fe2 cuboctahedra; corners with eight Mg(2,2)Na2Mg10 cuboctahedra; edges with two equivalent Fe(1)Mg12 cuboctahedra; edges with four equivalent Mg(1)Mg10Fe2 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Mg(2)Na2Mg10 cuboctahedra; faces with two equivalent Fe(1)Mg12 cuboctahedra; and faces with four equivalent Mg(1)Mg10Fe2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Na(1); two equivalent Mg(4); four Mg(2,2); and four Mg(3,3) atoms to form distorted MgNa2Mg10 cuboctahedra that share corners with four equivalent Fe(1)Mg12 cuboctahedra; corners with six equivalent Mg(2)Na2Mg10 cuboctahedra; corners with eight equivalent Mg(1)Mg10Fe2 cuboctahedra; edges with two equivalent Na(1)Mg12 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with four Mg(2,2)Na2Mg10 cuboctahedra; faces with two equivalent Na(1)Mg12 cuboctahedra; faces with two equivalent Mg(1)Mg10Fe2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; and faces with four Mg(2,2)Na2Mg10 cuboctahedra. In the third Mg site, Mg(2) is bonded to two equivalent Na(1); two equivalent Mg(4); four Mg(2,2); and four equivalent Mg(3) atoms to form distorted MgNa2Mg10 cuboctahedra that share corners with four equivalent Fe(1)Mg12 cuboctahedra; corners with six equivalent Mg(2)Na2Mg10 cuboctahedra; corners with eight equivalent Mg(1)Mg10Fe2 cuboctahedra; edges with two equivalent Na(1)Mg12 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with four Mg(2,2)Na2Mg10 cuboctahedra; faces with two equivalent Na(1)Mg12 cuboctahedra; faces with two equivalent Mg(1)Mg10Fe2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; and faces with four Mg(2,2)Na2Mg10 cuboctahedra. In the fourth Mg site, Mg(2) is bonded to two equivalent Na(1); two equivalent Mg(4); four Mg(2,2); and four Mg(3,3) atoms to form distorted MgNa2Mg10 cuboctahedra that share corners with four equivalent Fe(1)Mg12 cuboctahedra; corners with six equivalent Mg(2)Na2Mg10 cuboctahedra; corners with eight equivalent Mg(1)Mg10Fe2 cuboctahedra; edges with two equivalent Na(1)Mg12 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with four Mg(2,2)Na2Mg10 cuboctahedra; faces with two equivalent Na(1)Mg12 cuboctahedra; faces with two equivalent Mg(1)Mg10Fe2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; and faces with four Mg(2,2)Na2Mg10 cuboctahedra. In the fifth Mg site, Mg(3) is bonded in a 12-coordinate geometry to one Na(1); two equivalent Mg(1); two Mg(2,2); two equivalent Mg(4); four Mg(3,3); and one Fe(1) atom. In the sixth Mg site, Mg(3) is bonded in a 12-coordinate geometry to one Na(1); two equivalent Mg(1); two Mg(2,2); two equivalent Mg(4); four equivalent Mg(3); and one Fe(1) atom. In the seventh Mg site, Mg(4) is bonded to three equivalent Mg(1); three Mg(2,2,2); and six Mg(3,3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra; edges with six equivalent Mg(1)Mg10Fe2 cuboctahedra; edges with six Mg(2,2,2)Na2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with three equivalent Na(1)Mg12 cuboctahedra; faces with three equivalent Mg(1)Mg10Fe2 cuboctahedra; faces with three Mg(2,2,2)Na2Mg10 cuboctahedra; and faces with three equivalent Fe(1)Mg12 cuboctahedra. Fe(1) is bonded to six equivalent Mg(1) and six Mg(3,3) atoms to form FeMg12 cuboctahedra that share corners with six equivalent Fe(1)Mg12 cuboctahedra; corners with twelve Mg(2,2,2)Na2Mg10 cuboctahedra; edges with six equivalent Mg(1)Mg10Fe2 cuboctahedra; faces with two equivalent Na(1)Mg12 cuboctahedra; faces with six equivalent Mg(1)Mg10Fe2 cuboctahedra; and faces with six equivalent Mg(4)Mg12 cuboctahedra. is represented by the CIF file [CIF]
data_NaMg14Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.399
_cell_length_b   6.399
_cell_length_c   9.986
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   354.130
_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
  Na  Na0  1  0.167  0.333  0.625  1.0
  Mg  Mg1  1  0.160  0.830  0.125  1.0
  Mg  Mg2  1  0.174  0.837  0.625  1.0
  Mg  Mg3  1  0.670  0.340  0.125  1.0
  Mg  Mg4  1  0.663  0.326  0.625  1.0
  Mg  Mg5  1  0.670  0.830  0.125  1.0
  Mg  Mg6  1  0.663  0.837  0.625  1.0
  Mg  Mg7  1  0.327  0.173  0.356  1.0
  Mg  Mg8  1  0.327  0.173  0.894  1.0
  Mg  Mg9  1  0.327  0.653  0.356  1.0
  Mg  Mg10  1  0.327  0.653  0.894  1.0
  Mg  Mg11  1  0.847  0.173  0.356  1.0
  Mg  Mg12  1  0.847  0.173  0.894  1.0
  Mg  Mg13  1  0.833  0.667  0.380  1.0
  Mg  Mg14  1  0.833  0.667  0.870  1.0
  Fe  Fe15  1  0.167  0.333  0.125  1.0
[/CIF]
.