The structure described by Mg14BC crystallizes in the hexagonal P-6m2 space group. The structure consists of one 02329_fluka atom inside a Mg14B framework. In the Mg14B framework, there are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(4) and two equivalent B(1) atoms to form a mixture of distorted corner and face-sharing MgMg2B2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Mg(4) atoms. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(4) and one B(1) atom. 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, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with three equivalent B(1)Mg12 cuboctahedra. B(1) is bonded to six equivalent Mg(1) and six equivalent Mg(3) atoms to form distorted BMg12 cuboctahedra that share corners with six equivalent B(1)Mg12 cuboctahedra and faces with six equivalent Mg(4)Mg12 cuboctahedra. is represented by the CIF card [CIF]
data_Mg14BC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.099
_cell_length_b   6.099
_cell_length_c   9.858
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   317.575
_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  0.833  0.625  1.0
  Mg  Mg2  1  0.667  0.334  0.125  1.0
  Mg  Mg3  1  0.667  0.335  0.625  1.0
  Mg  Mg4  1  0.667  0.833  0.125  1.0
  Mg  Mg5  1  0.667  0.833  0.625  1.0
  Mg  Mg6  1  0.327  0.173  0.376  1.0
  Mg  Mg7  1  0.327  0.173  0.874  1.0
  Mg  Mg8  1  0.327  0.655  0.376  1.0
  Mg  Mg9  1  0.327  0.655  0.874  1.0
  Mg  Mg10  1  0.845  0.173  0.376  1.0
  Mg  Mg11  1  0.845  0.173  0.874  1.0
  Mg  Mg12  1  0.833  0.667  0.375  1.0
  Mg  Mg13  1  0.833  0.667  0.875  1.0
  B  B14  1  0.167  0.333  0.125  1.0
  C  C15  1  0.167  0.333  0.625  1.0
[/CIF]
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The structure described by Mg14BC crystallizes in the hexagonal P-6m2 space group. The structure consists of one 02329_fluka atom inside a Mg14B framework. In the Mg14B framework, there are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(4) and two equivalent B(1) atoms to form a mixture of distorted corner and face-sharing MgMg2B2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Mg(4) atoms. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(4) and one B(1) atom. 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, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with three equivalent B(1)Mg12 cuboctahedra. B(1) is bonded to six equivalent Mg(1) and six equivalent Mg(3) atoms to form distorted BMg12 cuboctahedra that share corners with six equivalent B(1)Mg12 cuboctahedra and faces with six equivalent Mg(4)Mg12 cuboctahedra. is represented by the CIF card [CIF]
data_Mg14BC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.099
_cell_length_b   6.099
_cell_length_c   9.858
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   317.575
_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  0.833  0.625  1.0
  Mg  Mg2  1  0.667  0.334  0.125  1.0
  Mg  Mg3  1  0.667  0.335  0.625  1.0
  Mg  Mg4  1  0.667  0.833  0.125  1.0
  Mg  Mg5  1  0.667  0.833  0.625  1.0
  Mg  Mg6  1  0.327  0.173  0.376  1.0
  Mg  Mg7  1  0.327  0.173  0.874  1.0
  Mg  Mg8  1  0.327  0.655  0.376  1.0
  Mg  Mg9  1  0.327  0.655  0.874  1.0
  Mg  Mg10  1  0.845  0.173  0.376  1.0
  Mg  Mg11  1  0.845  0.173  0.874  1.0
  Mg  Mg12  1  0.833  0.667  0.375  1.0
  Mg  Mg13  1  0.833  0.667  0.875  1.0
  B  B14  1  0.167  0.333  0.125  1.0
  C  C15  1  0.167  0.333  0.625  1.0
[/CIF]
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