The material structure described by Mg14VFe crystallizes in the orthorhombic Amm2 space group. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(6), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent V(1)Mg10Fe2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8V2Fe2 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Fe(1)Mg10V2 cuboctahedra, faces with four equivalent Mg(4)Mg12 cuboctahedra, and faces with six equivalent Mg(7)Mg11V cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(7), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Fe(1)Mg10V2 cuboctahedra, corners with six equivalent Mg(2)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8V2Fe2 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(7)Mg11V cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(7)Mg11V cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent V(1)Mg10Fe2 cuboctahedra, and faces with four equivalent Mg(4)Mg12 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(3), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), two equivalent V(1), and two equivalent Fe(1) atoms to form distorted MgMg8V2Fe2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with four equivalent Mg(4)Mg12 cuboctahedra, corners with six equivalent Mg(3)Mg8V2Fe2 cuboctahedra, edges with two equivalent Mg(3)Mg8V2Fe2 cuboctahedra, edges with two equivalent V(1)Mg10Fe2 cuboctahedra, edges with two equivalent Fe(1)Mg10V2 cuboctahedra, edges with four equivalent Mg(7)Mg11V cuboctahedra, faces with two equivalent Mg(7)Mg11V cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8V2Fe2 cuboctahedra, faces with two equivalent V(1)Mg10Fe2 cuboctahedra, and faces with two equivalent Fe(1)Mg10V2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), two equivalent Mg(6), and two equivalent Mg(7) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Mg(3)Mg8V2Fe2 cuboctahedra, corners with four equivalent V(1)Mg10Fe2 cuboctahedra, corners with four equivalent Fe(1)Mg10V2 cuboctahedra, corners with six equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(7)Mg11V cuboctahedra, faces with two equivalent Mg(7)Mg11V cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with two equivalent Mg(3)Mg8V2Fe2 cuboctahedra. In the fifth Mg site, Mg(5) is bonded in a 2-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(7), one V(1), and one Fe(1) atom. In the sixth Mg site, Mg(6) is bonded in a distorted single-bond geometry to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(7), and one Fe(1) atom. In the seventh Mg site, Mg(7) is bonded to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), four equivalent Mg(5), and one V(1) atom to form distorted MgMg11V cuboctahedra that share corners with six equivalent Mg(7)Mg11V cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent V(1)Mg10Fe2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(3)Mg8V2Fe2 cuboctahedra,  a faceface with one Mg(2)Mg12 cuboctahedra,  a faceface with one V(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(7)Mg11V cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8V2Fe2 cuboctahedra, faces with three equivalent Mg(1)Mg12 cuboctahedra, and faces with three equivalent Fe(1)Mg10V2 cuboctahedra. V(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Fe(1) atoms to form VMg10Fe2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent V(1)Mg10Fe2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Fe(1)Mg10V2 cuboctahedra, edges with four equivalent Mg(7)Mg11V cuboctahedra, edges with four equivalent Mg(3)Mg8V2Fe2 cuboctahedra, faces with two equivalent Mg(7)Mg11V cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Fe(1)Mg10V2 cuboctahedra, and faces with four equivalent Mg(3)Mg8V2Fe2 cuboctahedra. Fe(1) is bonded to two equivalent Mg(6), four equivalent Mg(3), four equivalent Mg(5), and two equivalent V(1) atoms to form FeMg10V2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with six equivalent Fe(1)Mg10V2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent V(1)Mg10Fe2 cuboctahedra, edges with four equivalent Mg(3)Mg8V2Fe2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent V(1)Mg10Fe2 cuboctahedra, faces with four equivalent Mg(3)Mg8V2Fe2 cuboctahedra, and faces with six equivalent Mg(7)Mg11V cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg14VFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.266
_cell_length_b   6.177
_cell_length_c   9.933
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.532
_symmetry_Int_Tables_number   1
_cell_volume   334.490
_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  0.168  0.334  0.625  1.0
  Mg  Mg1  1  0.170  0.835  0.625  1.0
  Mg  Mg2  1  0.666  0.336  0.125  1.0
  Mg  Mg3  1  0.664  0.331  0.625  1.0
  Mg  Mg4  1  0.666  0.831  0.125  1.0
  Mg  Mg5  1  0.664  0.833  0.625  1.0
  Mg  Mg6  1  0.326  0.167  0.358  1.0
  Mg  Mg7  1  0.326  0.167  0.892  1.0
  Mg  Mg8  1  0.326  0.658  0.358  1.0
  Mg  Mg9  1  0.326  0.658  0.892  1.0
  Mg  Mg10  1  0.849  0.174  0.362  1.0
  Mg  Mg11  1  0.849  0.174  0.888  1.0
  Mg  Mg12  1  0.842  0.671  0.373  1.0
  Mg  Mg13  1  0.842  0.671  0.877  1.0
  V  V14  1  0.158  0.829  0.125  1.0
  Fe  Fe15  1  0.161  0.330  0.125  1.0
[/CIF]
.
The material structure described by Mg14VFe crystallizes in the orthorhombic Amm2 space group. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(6), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent V(1)Mg10Fe2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8V2Fe2 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Fe(1)Mg10V2 cuboctahedra, faces with four equivalent Mg(4)Mg12 cuboctahedra, and faces with six equivalent Mg(7)Mg11V cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(7), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Fe(1)Mg10V2 cuboctahedra, corners with six equivalent Mg(2)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8V2Fe2 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(7)Mg11V cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(7)Mg11V cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent V(1)Mg10Fe2 cuboctahedra, and faces with four equivalent Mg(4)Mg12 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(3), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), two equivalent V(1), and two equivalent Fe(1) atoms to form distorted MgMg8V2Fe2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with four equivalent Mg(4)Mg12 cuboctahedra, corners with six equivalent Mg(3)Mg8V2Fe2 cuboctahedra, edges with two equivalent Mg(3)Mg8V2Fe2 cuboctahedra, edges with two equivalent V(1)Mg10Fe2 cuboctahedra, edges with two equivalent Fe(1)Mg10V2 cuboctahedra, edges with four equivalent Mg(7)Mg11V cuboctahedra, faces with two equivalent Mg(7)Mg11V cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8V2Fe2 cuboctahedra, faces with two equivalent V(1)Mg10Fe2 cuboctahedra, and faces with two equivalent Fe(1)Mg10V2 cuboctahedra. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), two equivalent Mg(6), and two equivalent Mg(7) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Mg(3)Mg8V2Fe2 cuboctahedra, corners with four equivalent V(1)Mg10Fe2 cuboctahedra, corners with four equivalent Fe(1)Mg10V2 cuboctahedra, corners with six equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(7)Mg11V cuboctahedra, faces with two equivalent Mg(7)Mg11V cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with two equivalent Mg(3)Mg8V2Fe2 cuboctahedra. In the fifth Mg site, Mg(5) is bonded in a 2-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(7), one V(1), and one Fe(1) atom. In the sixth Mg site, Mg(6) is bonded in a distorted single-bond geometry to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(7), and one Fe(1) atom. In the seventh Mg site, Mg(7) is bonded to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), four equivalent Mg(5), and one V(1) atom to form distorted MgMg11V cuboctahedra that share corners with six equivalent Mg(7)Mg11V cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with two equivalent V(1)Mg10Fe2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(3)Mg8V2Fe2 cuboctahedra,  a faceface with one Mg(2)Mg12 cuboctahedra,  a faceface with one V(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(7)Mg11V cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8V2Fe2 cuboctahedra, faces with three equivalent Mg(1)Mg12 cuboctahedra, and faces with three equivalent Fe(1)Mg10V2 cuboctahedra. V(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Fe(1) atoms to form VMg10Fe2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent V(1)Mg10Fe2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Fe(1)Mg10V2 cuboctahedra, edges with four equivalent Mg(7)Mg11V cuboctahedra, edges with four equivalent Mg(3)Mg8V2Fe2 cuboctahedra, faces with two equivalent Mg(7)Mg11V cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with two equivalent Fe(1)Mg10V2 cuboctahedra, and faces with four equivalent Mg(3)Mg8V2Fe2 cuboctahedra. Fe(1) is bonded to two equivalent Mg(6), four equivalent Mg(3), four equivalent Mg(5), and two equivalent V(1) atoms to form FeMg10V2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with six equivalent Fe(1)Mg10V2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent V(1)Mg10Fe2 cuboctahedra, edges with four equivalent Mg(3)Mg8V2Fe2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent V(1)Mg10Fe2 cuboctahedra, faces with four equivalent Mg(3)Mg8V2Fe2 cuboctahedra, and faces with six equivalent Mg(7)Mg11V cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg14VFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.266
_cell_length_b   6.177
_cell_length_c   9.933
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.532
_symmetry_Int_Tables_number   1
_cell_volume   334.490
_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  0.168  0.334  0.625  1.0
  Mg  Mg1  1  0.170  0.835  0.625  1.0
  Mg  Mg2  1  0.666  0.336  0.125  1.0
  Mg  Mg3  1  0.664  0.331  0.625  1.0
  Mg  Mg4  1  0.666  0.831  0.125  1.0
  Mg  Mg5  1  0.664  0.833  0.625  1.0
  Mg  Mg6  1  0.326  0.167  0.358  1.0
  Mg  Mg7  1  0.326  0.167  0.892  1.0
  Mg  Mg8  1  0.326  0.658  0.358  1.0
  Mg  Mg9  1  0.326  0.658  0.892  1.0
  Mg  Mg10  1  0.849  0.174  0.362  1.0
  Mg  Mg11  1  0.849  0.174  0.888  1.0
  Mg  Mg12  1  0.842  0.671  0.373  1.0
  Mg  Mg13  1  0.842  0.671  0.877  1.0
  V  V14  1  0.158  0.829  0.125  1.0
  Fe  Fe15  1  0.161  0.330  0.125  1.0
[/CIF]
.