The material structure described by BaMg14Fe crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Fe(1) atoms to form BaMg10Fe2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Ba(1)Mg10Fe2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(3)Ba2Mg8Fe2 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, and faces with four equivalent Mg(3)Ba2Mg8Fe2 cuboctahedra. 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 Ba(1)Mg10Fe2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Ba2Mg8Fe2 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, and faces with four equivalent Mg(4)Mg12 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 six equivalent Mg(2)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Ba2Mg8Fe2 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Ba(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, and faces with four equivalent Mg(4)Mg12 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Ba(1), two equivalent Mg(3), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), and two equivalent Fe(1) atoms to form distorted MgBa2Mg8Fe2 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)Ba2Mg8Fe2 cuboctahedra, edges with two equivalent Ba(1)Mg10Fe2 cuboctahedra, edges with two equivalent Mg(3)Ba2Mg8Fe2 cuboctahedra, faces with two equivalent Ba(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(3)Ba2Mg8Fe2 cuboctahedra, and faces with two equivalent Mg(4)Mg12 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 Ba(1)Mg10Fe2 cuboctahedra, corners with four equivalent Mg(3)Ba2Mg8Fe2 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, faces with two equivalent Mg(3)Ba2Mg8Fe2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, and faces with two equivalent Mg(4)Mg12 cuboctahedra. In the fifth Mg site, Mg(5) is bonded in a 12-coordinate geometry to one Ba(1), one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), 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), four equivalent Mg(5), and one Fe(1) atom. In the seventh Mg site, Mg(7) is bonded in a 12-coordinate geometry to one Ba(1), one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), and four equivalent Mg(5) atoms. Fe(1) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(6), four equivalent Mg(3), and four equivalent Mg(5) atoms. is represented by the CIF card [CIF]
data_BaMg14Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.620
_cell_length_b   6.620
_cell_length_c   10.431
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   124.518
_symmetry_Int_Tables_number   1
_cell_volume   376.638
_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
  Ba  Ba0  1  0.326  0.674  0.500  1.0
  Mg  Mg1  1  0.829  0.171  0.000  1.0
  Mg  Mg2  1  0.334  0.666  0.000  1.0
  Mg  Mg3  1  0.316  0.167  0.500  1.0
  Mg  Mg4  1  0.335  0.175  0.000  1.0
  Mg  Mg5  1  0.833  0.684  0.500  1.0
  Mg  Mg6  1  0.825  0.665  0.000  1.0
  Mg  Mg7  1  0.159  0.319  0.247  1.0
  Mg  Mg8  1  0.159  0.319  0.753  1.0
  Mg  Mg9  1  0.681  0.841  0.247  1.0
  Mg  Mg10  1  0.681  0.841  0.753  1.0
  Mg  Mg11  1  0.678  0.322  0.271  1.0
  Mg  Mg12  1  0.678  0.322  0.729  1.0
  Mg  Mg13  1  0.164  0.836  0.235  1.0
  Mg  Mg14  1  0.164  0.836  0.765  1.0
  Fe  Fe15  1  0.840  0.160  0.500  1.0
[/CIF]
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The material structure described by BaMg14Fe crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Fe(1) atoms to form BaMg10Fe2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Ba(1)Mg10Fe2 cuboctahedra, corners with eight equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(3)Ba2Mg8Fe2 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, and faces with four equivalent Mg(3)Ba2Mg8Fe2 cuboctahedra. 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 Ba(1)Mg10Fe2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Ba2Mg8Fe2 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, and faces with four equivalent Mg(4)Mg12 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 six equivalent Mg(2)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Ba2Mg8Fe2 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Ba(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, and faces with four equivalent Mg(4)Mg12 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Ba(1), two equivalent Mg(3), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), and two equivalent Fe(1) atoms to form distorted MgBa2Mg8Fe2 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)Ba2Mg8Fe2 cuboctahedra, edges with two equivalent Ba(1)Mg10Fe2 cuboctahedra, edges with two equivalent Mg(3)Ba2Mg8Fe2 cuboctahedra, faces with two equivalent Ba(1)Mg10Fe2 cuboctahedra, faces with two equivalent Mg(3)Ba2Mg8Fe2 cuboctahedra, and faces with two equivalent Mg(4)Mg12 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 Ba(1)Mg10Fe2 cuboctahedra, corners with four equivalent Mg(3)Ba2Mg8Fe2 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, faces with two equivalent Mg(3)Ba2Mg8Fe2 cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, and faces with two equivalent Mg(4)Mg12 cuboctahedra. In the fifth Mg site, Mg(5) is bonded in a 12-coordinate geometry to one Ba(1), one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), 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), four equivalent Mg(5), and one Fe(1) atom. In the seventh Mg site, Mg(7) is bonded in a 12-coordinate geometry to one Ba(1), one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), and four equivalent Mg(5) atoms. Fe(1) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(6), four equivalent Mg(3), and four equivalent Mg(5) atoms. is represented by the CIF card [CIF]
data_BaMg14Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.620
_cell_length_b   6.620
_cell_length_c   10.431
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   124.518
_symmetry_Int_Tables_number   1
_cell_volume   376.638
_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
  Ba  Ba0  1  0.326  0.674  0.500  1.0
  Mg  Mg1  1  0.829  0.171  0.000  1.0
  Mg  Mg2  1  0.334  0.666  0.000  1.0
  Mg  Mg3  1  0.316  0.167  0.500  1.0
  Mg  Mg4  1  0.335  0.175  0.000  1.0
  Mg  Mg5  1  0.833  0.684  0.500  1.0
  Mg  Mg6  1  0.825  0.665  0.000  1.0
  Mg  Mg7  1  0.159  0.319  0.247  1.0
  Mg  Mg8  1  0.159  0.319  0.753  1.0
  Mg  Mg9  1  0.681  0.841  0.247  1.0
  Mg  Mg10  1  0.681  0.841  0.753  1.0
  Mg  Mg11  1  0.678  0.322  0.271  1.0
  Mg  Mg12  1  0.678  0.322  0.729  1.0
  Mg  Mg13  1  0.164  0.836  0.235  1.0
  Mg  Mg14  1  0.164  0.836  0.765  1.0
  Fe  Fe15  1  0.840  0.160  0.500  1.0
[/CIF]
.