The structure described by BaMg14Cu 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 Cu(1) atoms to form distorted BaMg10Cu2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Ba(1)Mg10Cu2 cuboctahedra, and faces with two equivalent Mg(2)Mg12 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)Mg10Cu2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, and faces with two equivalent Mg(2)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, edges with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Ba(1)Mg10Cu2 cuboctahedra, and faces with two equivalent Mg(1)Mg12 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 1-coordinate geometry to two equivalent Ba(1), two equivalent Mg(5), and one Cu(1) atom. In the fourth Mg site, Mg(4) is bonded in a 12-coordinate geometry 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. In the fifth Mg site, Mg(5) is bonded in a 10-coordinate geometry to one Ba(1), one Mg(1), one Mg(2), one Mg(3), one Mg(4), one Mg(6), one Mg(7), two equivalent Mg(5), and one Cu(1) atom. In the sixth Mg site, Mg(6) is bonded in a distorted single-bond geometry to one Mg(1), two equivalent Mg(4), two equivalent Mg(5), and one Cu(1) atom. In the seventh Mg site, Mg(7) is bonded in a 1-coordinate geometry to one Ba(1), one Mg(2), two equivalent Mg(4), and two equivalent Mg(5) atoms. Cu(1) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(3), two equivalent Mg(6), and four equivalent Mg(5) atoms. is represented by the CIF file [CIF]
data_BaMg14Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.715
_cell_length_b   6.272
_cell_length_c   10.438
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   117.840
_symmetry_Int_Tables_number   1
_cell_volume   388.761
_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  0.108  0.804  0.125  1.0
  Mg  Mg1  1  0.158  0.329  0.625  1.0
  Mg  Mg2  1  0.169  0.834  0.625  1.0
  Mg  Mg3  1  0.608  0.312  0.125  1.0
  Mg  Mg4  1  0.665  0.325  0.625  1.0
  Mg  Mg5  1  0.608  0.796  0.125  1.0
  Mg  Mg6  1  0.665  0.840  0.625  1.0
  Mg  Mg7  1  0.352  0.180  0.385  1.0
  Mg  Mg8  1  0.352  0.180  0.865  1.0
  Mg  Mg9  1  0.352  0.672  0.385  1.0
  Mg  Mg10  1  0.352  0.672  0.865  1.0
  Mg  Mg11  1  0.873  0.187  0.341  1.0
  Mg  Mg12  1  0.873  0.187  0.909  1.0
  Mg  Mg13  1  0.823  0.662  0.398  1.0
  Mg  Mg14  1  0.823  0.662  0.852  1.0
  Cu  Cu15  1  0.215  0.358  0.125  1.0
[/CIF]
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The structure described by BaMg14Cu 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 Cu(1) atoms to form distorted BaMg10Cu2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with six equivalent Ba(1)Mg10Cu2 cuboctahedra, and faces with two equivalent Mg(2)Mg12 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)Mg10Cu2 cuboctahedra, corners with six equivalent Mg(1)Mg12 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, and faces with two equivalent Mg(2)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, edges with two equivalent Mg(1)Mg12 cuboctahedra, faces with two equivalent Ba(1)Mg10Cu2 cuboctahedra, and faces with two equivalent Mg(1)Mg12 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 1-coordinate geometry to two equivalent Ba(1), two equivalent Mg(5), and one Cu(1) atom. In the fourth Mg site, Mg(4) is bonded in a 12-coordinate geometry 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. In the fifth Mg site, Mg(5) is bonded in a 10-coordinate geometry to one Ba(1), one Mg(1), one Mg(2), one Mg(3), one Mg(4), one Mg(6), one Mg(7), two equivalent Mg(5), and one Cu(1) atom. In the sixth Mg site, Mg(6) is bonded in a distorted single-bond geometry to one Mg(1), two equivalent Mg(4), two equivalent Mg(5), and one Cu(1) atom. In the seventh Mg site, Mg(7) is bonded in a 1-coordinate geometry to one Ba(1), one Mg(2), two equivalent Mg(4), and two equivalent Mg(5) atoms. Cu(1) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(3), two equivalent Mg(6), and four equivalent Mg(5) atoms. is represented by the CIF file [CIF]
data_BaMg14Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.715
_cell_length_b   6.272
_cell_length_c   10.438
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   117.840
_symmetry_Int_Tables_number   1
_cell_volume   388.761
_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  0.108  0.804  0.125  1.0
  Mg  Mg1  1  0.158  0.329  0.625  1.0
  Mg  Mg2  1  0.169  0.834  0.625  1.0
  Mg  Mg3  1  0.608  0.312  0.125  1.0
  Mg  Mg4  1  0.665  0.325  0.625  1.0
  Mg  Mg5  1  0.608  0.796  0.125  1.0
  Mg  Mg6  1  0.665  0.840  0.625  1.0
  Mg  Mg7  1  0.352  0.180  0.385  1.0
  Mg  Mg8  1  0.352  0.180  0.865  1.0
  Mg  Mg9  1  0.352  0.672  0.385  1.0
  Mg  Mg10  1  0.352  0.672  0.865  1.0
  Mg  Mg11  1  0.873  0.187  0.341  1.0
  Mg  Mg12  1  0.873  0.187  0.909  1.0
  Mg  Mg13  1  0.823  0.662  0.398  1.0
  Mg  Mg14  1  0.823  0.662  0.852  1.0
  Cu  Cu15  1  0.215  0.358  0.125  1.0
[/CIF]
.