The structure described by Mg14CuB crystallizes in the hexagonal P-6m2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Cu(1) atoms to form distorted MgMg10Cu2 cuboctahedra that share corners with six equivalent Mg(1)Mg10Cu2 cuboctahedra, edges with two equivalent Cu(1)Mg12 cuboctahedra, edges with four equivalent Mg(1)Mg10Cu2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with eight equivalent Mg(3)Mg10CuB cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Cu(1)Mg12 cuboctahedra, faces with four equivalent Mg(1)Mg10Cu2 cuboctahedra, and faces with ten equivalent Mg(3)Mg10CuB cuboctahedra. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(4) and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(3), one Cu(1), and one B(1) atom to form distorted MgMg10CuB cuboctahedra that share corners with four equivalent Mg(4)Mg12 cuboctahedra, corners with fourteen equivalent Mg(3)Mg10CuB cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Cu(1)Mg12 cuboctahedra, edges with four equivalent Mg(1)Mg10Cu2 cuboctahedra, edges with four equivalent Mg(3)Mg10CuB cuboctahedra,  a faceface with one Cu(1)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with five equivalent Mg(1)Mg10Cu2 cuboctahedra, and faces with six equivalent Mg(3)Mg10CuB cuboctahedra. In the fourth Mg site, Mg(4) is bonded to three equivalent Mg(1), three equivalent Mg(2), and six equivalent Mg(3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra, corners with twelve equivalent Mg(3)Mg10CuB cuboctahedra, edges with six equivalent Mg(1)Mg10Cu2 cuboctahedra, edges with six equivalent Mg(3)Mg10CuB cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent Mg(1)Mg10Cu2 cuboctahedra, faces with three equivalent Cu(1)Mg12 cuboctahedra, and faces with six equivalent Mg(3)Mg10CuB cuboctahedra. Cu(1) is bonded to six equivalent Mg(1) and six equivalent Mg(3) atoms to form CuMg12 cuboctahedra that share corners with six equivalent Cu(1)Mg12 cuboctahedra, edges with six equivalent Mg(1)Mg10Cu2 cuboctahedra, edges with twelve equivalent Mg(3)Mg10CuB cuboctahedra, faces with six equivalent Mg(1)Mg10Cu2 cuboctahedra, faces with six equivalent Mg(3)Mg10CuB cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra. B(1) is bonded in a 12-coordinate geometry to six equivalent Mg(3) atoms. is represented by the CIF card [CIF]
data_Mg14CuB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.148
_cell_length_b   6.148
_cell_length_c   10.025
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   328.153
_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  0.166  0.833  0.125  1.0
  Mg  Mg1  1  0.165  0.832  0.625  1.0
  Mg  Mg2  1  0.667  0.334  0.125  1.0
  Mg  Mg3  1  0.668  0.335  0.625  1.0
  Mg  Mg4  1  0.667  0.833  0.125  1.0
  Mg  Mg5  1  0.668  0.832  0.625  1.0
  Mg  Mg6  1  0.327  0.173  0.377  1.0
  Mg  Mg7  1  0.327  0.173  0.873  1.0
  Mg  Mg8  1  0.327  0.654  0.377  1.0
  Mg  Mg9  1  0.327  0.654  0.873  1.0
  Mg  Mg10  1  0.846  0.173  0.377  1.0
  Mg  Mg11  1  0.846  0.173  0.873  1.0
  Mg  Mg12  1  0.833  0.667  0.374  1.0
  Mg  Mg13  1  0.833  0.667  0.876  1.0
  Cu  Cu14  1  0.167  0.333  0.125  1.0
  B  B15  1  0.167  0.333  0.625  1.0
[/CIF]
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The structure described by Mg14CuB crystallizes in the hexagonal P-6m2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Cu(1) atoms to form distorted MgMg10Cu2 cuboctahedra that share corners with six equivalent Mg(1)Mg10Cu2 cuboctahedra, edges with two equivalent Cu(1)Mg12 cuboctahedra, edges with four equivalent Mg(1)Mg10Cu2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with eight equivalent Mg(3)Mg10CuB cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Cu(1)Mg12 cuboctahedra, faces with four equivalent Mg(1)Mg10Cu2 cuboctahedra, and faces with ten equivalent Mg(3)Mg10CuB cuboctahedra. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent Mg(4) and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(3), one Cu(1), and one B(1) atom to form distorted MgMg10CuB cuboctahedra that share corners with four equivalent Mg(4)Mg12 cuboctahedra, corners with fourteen equivalent Mg(3)Mg10CuB cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Cu(1)Mg12 cuboctahedra, edges with four equivalent Mg(1)Mg10Cu2 cuboctahedra, edges with four equivalent Mg(3)Mg10CuB cuboctahedra,  a faceface with one Cu(1)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with five equivalent Mg(1)Mg10Cu2 cuboctahedra, and faces with six equivalent Mg(3)Mg10CuB cuboctahedra. In the fourth Mg site, Mg(4) is bonded to three equivalent Mg(1), three equivalent Mg(2), and six equivalent Mg(3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra, corners with twelve equivalent Mg(3)Mg10CuB cuboctahedra, edges with six equivalent Mg(1)Mg10Cu2 cuboctahedra, edges with six equivalent Mg(3)Mg10CuB cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent Mg(1)Mg10Cu2 cuboctahedra, faces with three equivalent Cu(1)Mg12 cuboctahedra, and faces with six equivalent Mg(3)Mg10CuB cuboctahedra. Cu(1) is bonded to six equivalent Mg(1) and six equivalent Mg(3) atoms to form CuMg12 cuboctahedra that share corners with six equivalent Cu(1)Mg12 cuboctahedra, edges with six equivalent Mg(1)Mg10Cu2 cuboctahedra, edges with twelve equivalent Mg(3)Mg10CuB cuboctahedra, faces with six equivalent Mg(1)Mg10Cu2 cuboctahedra, faces with six equivalent Mg(3)Mg10CuB cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra. B(1) is bonded in a 12-coordinate geometry to six equivalent Mg(3) atoms. is represented by the CIF card [CIF]
data_Mg14CuB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.148
_cell_length_b   6.148
_cell_length_c   10.025
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   328.153
_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  0.166  0.833  0.125  1.0
  Mg  Mg1  1  0.165  0.832  0.625  1.0
  Mg  Mg2  1  0.667  0.334  0.125  1.0
  Mg  Mg3  1  0.668  0.335  0.625  1.0
  Mg  Mg4  1  0.667  0.833  0.125  1.0
  Mg  Mg5  1  0.668  0.832  0.625  1.0
  Mg  Mg6  1  0.327  0.173  0.377  1.0
  Mg  Mg7  1  0.327  0.173  0.873  1.0
  Mg  Mg8  1  0.327  0.654  0.377  1.0
  Mg  Mg9  1  0.327  0.654  0.873  1.0
  Mg  Mg10  1  0.846  0.173  0.377  1.0
  Mg  Mg11  1  0.846  0.173  0.873  1.0
  Mg  Mg12  1  0.833  0.667  0.374  1.0
  Mg  Mg13  1  0.833  0.667  0.876  1.0
  Cu  Cu14  1  0.167  0.333  0.125  1.0
  B  B15  1  0.167  0.333  0.625  1.0
[/CIF]
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