The crystal structure described by Mg14BiSb crystallizes in the orthorhombic Amm2 space group. There are nine inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2); two equivalent Mg(6); four Mg(4,4); and four Mg(5,5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Bi(1)Mg10Sb2 cuboctahedra; corners with six equivalent Mg(1)Mg12 cuboctahedra; edges with two equivalent Mg(2)Mg12 cuboctahedra; edges with four Mg(4,4)Mg12 cuboctahedra; edges with eight Mg(5,5)Mg10BiSb cuboctahedra; faces with two equivalent Mg(2)Mg12 cuboctahedra; faces with two equivalent Sb(1)Mg10Bi2 cuboctahedra; faces with four Mg(5,5)Mg10BiSb cuboctahedra; faces with four Mg(4,4)Mg12 cuboctahedra; and faces with six equivalent Mg(7)Mg11Bi cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1); two equivalent Mg(7); four Mg(4,4); and four Mg(5,5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Sb(1)Mg10Bi2 cuboctahedra; corners with six equivalent Mg(2)Mg12 cuboctahedra; edges with two equivalent Mg(1)Mg12 cuboctahedra; edges with four equivalent Mg(7)Mg11Bi cuboctahedra; edges with four Mg(4,4)Mg12 cuboctahedra; edges with eight Mg(5,5)Mg10BiSb cuboctahedra; faces with two equivalent Mg(7)Mg11Bi cuboctahedra; faces with two equivalent Mg(1)Mg12 cuboctahedra; faces with two equivalent Bi(1)Mg10Sb2 cuboctahedra; faces with four Mg(5,5)Mg10BiSb cuboctahedra; and faces with four Mg(4,4)Mg12 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Mg(5), two equivalent Mg(7), two equivalent Bi(1), and two equivalent Sb(1) atoms. 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 Bi(1)Mg10Sb2 cuboctahedra; corners with four equivalent Sb(1)Mg10Bi2 cuboctahedra; corners with six Mg(4,4)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(5)Mg10BiSb cuboctahedra; edges with four equivalent Mg(7)Mg11Bi cuboctahedra; faces with two equivalent Mg(7)Mg11Bi 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 eight Mg(5,5)Mg10BiSb cuboctahedra. In the fifth Mg site, Mg(5) is bonded to one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), one Bi(1), and one Sb(1) atom to form distorted MgMg10BiSb cuboctahedra that share corners with four equivalent Mg(7)Mg11Bi cuboctahedra; corners with ten equivalent Mg(5)Mg10BiSb cuboctahedra; edges with two equivalent Mg(5)Mg10BiSb cuboctahedra; edges with two equivalent Mg(7)Mg11Bi 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 two equivalent Bi(1)Mg10Sb2 cuboctahedra; edges with two equivalent Sb(1)Mg10Bi2 cuboctahedra;  a faceface with one Mg(1)Mg12 cuboctahedra;  a faceface with one Mg(2)Mg12 cuboctahedra;  a faceface with one Bi(1)Mg10Sb2 cuboctahedra;  a faceface with one Sb(1)Mg10Bi2 cuboctahedra; faces with two equivalent Mg(7)Mg11Bi cuboctahedra; faces with four equivalent Mg(5)Mg10BiSb cuboctahedra; and faces with four Mg(4,4)Mg12 cuboctahedra. In the sixth Mg site, Mg(5) is bonded to one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), one Bi(1), and one Sb(1) atom to form distorted MgMg10BiSb cuboctahedra that share corners with four equivalent Mg(7)Mg11Bi cuboctahedra; corners with ten Mg(5,5)Mg10BiSb cuboctahedra; edges with two equivalent Mg(5)Mg10BiSb cuboctahedra; edges with two equivalent Mg(7)Mg11Bi 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 two equivalent Bi(1)Mg10Sb2 cuboctahedra; edges with two equivalent Sb(1)Mg10Bi2 cuboctahedra;  a faceface with one Mg(1)Mg12 cuboctahedra;  a faceface with one Mg(2)Mg12 cuboctahedra;  a faceface with one Bi(1)Mg10Sb2 cuboctahedra;  a faceface with one Sb(1)Mg10Bi2 cuboctahedra; faces with two equivalent Mg(7)Mg11Bi cuboctahedra; faces with four Mg(5,5)Mg10BiSb cuboctahedra; and faces with four Mg(4,4)Mg12 cuboctahedra. In the seventh Mg site, Mg(6) is bonded in a distorted single-bond geometry to one Mg(1); two Mg(4,4); two equivalent Mg(7); four Mg(5,5); and one Sb(1) atom. In the eighth Mg site, Mg(7) is bonded to one Mg(2); two equivalent Mg(3); two Mg(4,4); two equivalent Mg(6); four Mg(5,5); and one Bi(1) atom to form distorted MgMg11Bi cuboctahedra that share corners with six equivalent Mg(7)Mg11Bi cuboctahedra; corners with eight Mg(5,5)Mg10BiSb cuboctahedra; edges with two equivalent Mg(2)Mg12 cuboctahedra; edges with two equivalent Bi(1)Mg10Sb2 cuboctahedra; edges with four Mg(5,5)Mg10BiSb cuboctahedra; edges with four Mg(4,4)Mg12 cuboctahedra;  a faceface with one Mg(2)Mg12 cuboctahedra;  a faceface with one Bi(1)Mg10Sb2 cuboctahedra; faces with two equivalent Mg(7)Mg11Bi cuboctahedra; faces with two Mg(4,4)Mg12 cuboctahedra; faces with three equivalent Mg(1)Mg12 cuboctahedra; faces with three equivalent Sb(1)Mg10Bi2 cuboctahedra; and faces with four Mg(5,5)Mg10BiSb cuboctahedra. In the ninth 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 Bi(1)Mg10Sb2 cuboctahedra; corners with four equivalent Sb(1)Mg10Bi2 cuboctahedra; corners with six Mg(4,4)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(5)Mg10BiSb cuboctahedra; edges with four equivalent Mg(7)Mg11Bi cuboctahedra; faces with two equivalent Mg(7)Mg11Bi 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 eight Mg(5,5)Mg10BiSb cuboctahedra. Bi(1) is bonded to two equivalent Mg(7); four equivalent Mg(3); four Mg(5,5); and two equivalent Sb(1) atoms to form distorted BiMg10Sb2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra; corners with six equivalent Bi(1)Mg10Sb2 cuboctahedra; corners with eight Mg(4,4)Mg12 cuboctahedra; edges with two equivalent Sb(1)Mg10Bi2 cuboctahedra; edges with four equivalent Mg(7)Mg11Bi cuboctahedra; edges with eight Mg(5,5)Mg10BiSb cuboctahedra; faces with two equivalent Mg(7)Mg11Bi cuboctahedra; faces with two equivalent Mg(2)Mg12 cuboctahedra; faces with two equivalent Sb(1)Mg10Bi2 cuboctahedra; and faces with four Mg(5,5)Mg10BiSb cuboctahedra. Sb(1) is bonded to two equivalent Mg(6); four equivalent Mg(3); four Mg(5,5); and two equivalent Bi(1) atoms to form distorted SbMg10Bi2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra; corners with six equivalent Sb(1)Mg10Bi2 cuboctahedra; corners with eight Mg(4,4)Mg12 cuboctahedra; edges with two equivalent Bi(1)Mg10Sb2 cuboctahedra; edges with eight Mg(5,5)Mg10BiSb cuboctahedra; faces with two equivalent Mg(1)Mg12 cuboctahedra; faces with two equivalent Bi(1)Mg10Sb2 cuboctahedra; faces with four Mg(5,5)Mg10BiSb cuboctahedra; and faces with six equivalent Mg(7)Mg11Bi cuboctahedra. is represented by the CIF file [CIF]
data_Mg14BiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.386
_cell_length_b   6.638
_cell_length_c   10.453
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.313
_symmetry_Int_Tables_number   1
_cell_volume   378.619
_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  0.170  0.335  0.625  1.0
  Mg  Mg1  1  0.170  0.835  0.625  1.0
  Mg  Mg2  1  0.667  0.335  0.125  1.0
  Mg  Mg3  1  0.669  0.334  0.625  1.0
  Mg  Mg4  1  0.667  0.833  0.125  1.0
  Mg  Mg5  1  0.669  0.835  0.625  1.0
  Mg  Mg6  1  0.336  0.170  0.381  1.0
  Mg  Mg7  1  0.336  0.170  0.869  1.0
  Mg  Mg8  1  0.336  0.666  0.381  1.0
  Mg  Mg9  1  0.336  0.666  0.869  1.0
  Mg  Mg10  1  0.830  0.165  0.377  1.0
  Mg  Mg11  1  0.830  0.165  0.873  1.0
  Mg  Mg12  1  0.828  0.664  0.380  1.0
  Mg  Mg13  1  0.828  0.664  0.870  1.0
  Bi  Bi14  1  0.165  0.832  0.125  1.0
  Sb  Sb15  1  0.160  0.330  0.125  1.0
[/CIF]
.
The crystal structure described by Mg14BiSb crystallizes in the orthorhombic Amm2 space group. There are nine inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2); two equivalent Mg(6); four Mg(4,4); and four Mg(5,5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Bi(1)Mg10Sb2 cuboctahedra; corners with six equivalent Mg(1)Mg12 cuboctahedra; edges with two equivalent Mg(2)Mg12 cuboctahedra; edges with four Mg(4,4)Mg12 cuboctahedra; edges with eight Mg(5,5)Mg10BiSb cuboctahedra; faces with two equivalent Mg(2)Mg12 cuboctahedra; faces with two equivalent Sb(1)Mg10Bi2 cuboctahedra; faces with four Mg(5,5)Mg10BiSb cuboctahedra; faces with four Mg(4,4)Mg12 cuboctahedra; and faces with six equivalent Mg(7)Mg11Bi cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1); two equivalent Mg(7); four Mg(4,4); and four Mg(5,5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Sb(1)Mg10Bi2 cuboctahedra; corners with six equivalent Mg(2)Mg12 cuboctahedra; edges with two equivalent Mg(1)Mg12 cuboctahedra; edges with four equivalent Mg(7)Mg11Bi cuboctahedra; edges with four Mg(4,4)Mg12 cuboctahedra; edges with eight Mg(5,5)Mg10BiSb cuboctahedra; faces with two equivalent Mg(7)Mg11Bi cuboctahedra; faces with two equivalent Mg(1)Mg12 cuboctahedra; faces with two equivalent Bi(1)Mg10Sb2 cuboctahedra; faces with four Mg(5,5)Mg10BiSb cuboctahedra; and faces with four Mg(4,4)Mg12 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to two equivalent Mg(5), two equivalent Mg(7), two equivalent Bi(1), and two equivalent Sb(1) atoms. 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 Bi(1)Mg10Sb2 cuboctahedra; corners with four equivalent Sb(1)Mg10Bi2 cuboctahedra; corners with six Mg(4,4)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(5)Mg10BiSb cuboctahedra; edges with four equivalent Mg(7)Mg11Bi cuboctahedra; faces with two equivalent Mg(7)Mg11Bi 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 eight Mg(5,5)Mg10BiSb cuboctahedra. In the fifth Mg site, Mg(5) is bonded to one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), one Bi(1), and one Sb(1) atom to form distorted MgMg10BiSb cuboctahedra that share corners with four equivalent Mg(7)Mg11Bi cuboctahedra; corners with ten equivalent Mg(5)Mg10BiSb cuboctahedra; edges with two equivalent Mg(5)Mg10BiSb cuboctahedra; edges with two equivalent Mg(7)Mg11Bi 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 two equivalent Bi(1)Mg10Sb2 cuboctahedra; edges with two equivalent Sb(1)Mg10Bi2 cuboctahedra;  a faceface with one Mg(1)Mg12 cuboctahedra;  a faceface with one Mg(2)Mg12 cuboctahedra;  a faceface with one Bi(1)Mg10Sb2 cuboctahedra;  a faceface with one Sb(1)Mg10Bi2 cuboctahedra; faces with two equivalent Mg(7)Mg11Bi cuboctahedra; faces with four equivalent Mg(5)Mg10BiSb cuboctahedra; and faces with four Mg(4,4)Mg12 cuboctahedra. In the sixth Mg site, Mg(5) is bonded to one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), one Bi(1), and one Sb(1) atom to form distorted MgMg10BiSb cuboctahedra that share corners with four equivalent Mg(7)Mg11Bi cuboctahedra; corners with ten Mg(5,5)Mg10BiSb cuboctahedra; edges with two equivalent Mg(5)Mg10BiSb cuboctahedra; edges with two equivalent Mg(7)Mg11Bi 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 two equivalent Bi(1)Mg10Sb2 cuboctahedra; edges with two equivalent Sb(1)Mg10Bi2 cuboctahedra;  a faceface with one Mg(1)Mg12 cuboctahedra;  a faceface with one Mg(2)Mg12 cuboctahedra;  a faceface with one Bi(1)Mg10Sb2 cuboctahedra;  a faceface with one Sb(1)Mg10Bi2 cuboctahedra; faces with two equivalent Mg(7)Mg11Bi cuboctahedra; faces with four Mg(5,5)Mg10BiSb cuboctahedra; and faces with four Mg(4,4)Mg12 cuboctahedra. In the seventh Mg site, Mg(6) is bonded in a distorted single-bond geometry to one Mg(1); two Mg(4,4); two equivalent Mg(7); four Mg(5,5); and one Sb(1) atom. In the eighth Mg site, Mg(7) is bonded to one Mg(2); two equivalent Mg(3); two Mg(4,4); two equivalent Mg(6); four Mg(5,5); and one Bi(1) atom to form distorted MgMg11Bi cuboctahedra that share corners with six equivalent Mg(7)Mg11Bi cuboctahedra; corners with eight Mg(5,5)Mg10BiSb cuboctahedra; edges with two equivalent Mg(2)Mg12 cuboctahedra; edges with two equivalent Bi(1)Mg10Sb2 cuboctahedra; edges with four Mg(5,5)Mg10BiSb cuboctahedra; edges with four Mg(4,4)Mg12 cuboctahedra;  a faceface with one Mg(2)Mg12 cuboctahedra;  a faceface with one Bi(1)Mg10Sb2 cuboctahedra; faces with two equivalent Mg(7)Mg11Bi cuboctahedra; faces with two Mg(4,4)Mg12 cuboctahedra; faces with three equivalent Mg(1)Mg12 cuboctahedra; faces with three equivalent Sb(1)Mg10Bi2 cuboctahedra; and faces with four Mg(5,5)Mg10BiSb cuboctahedra. In the ninth 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 Bi(1)Mg10Sb2 cuboctahedra; corners with four equivalent Sb(1)Mg10Bi2 cuboctahedra; corners with six Mg(4,4)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(5)Mg10BiSb cuboctahedra; edges with four equivalent Mg(7)Mg11Bi cuboctahedra; faces with two equivalent Mg(7)Mg11Bi 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 eight Mg(5,5)Mg10BiSb cuboctahedra. Bi(1) is bonded to two equivalent Mg(7); four equivalent Mg(3); four Mg(5,5); and two equivalent Sb(1) atoms to form distorted BiMg10Sb2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra; corners with six equivalent Bi(1)Mg10Sb2 cuboctahedra; corners with eight Mg(4,4)Mg12 cuboctahedra; edges with two equivalent Sb(1)Mg10Bi2 cuboctahedra; edges with four equivalent Mg(7)Mg11Bi cuboctahedra; edges with eight Mg(5,5)Mg10BiSb cuboctahedra; faces with two equivalent Mg(7)Mg11Bi cuboctahedra; faces with two equivalent Mg(2)Mg12 cuboctahedra; faces with two equivalent Sb(1)Mg10Bi2 cuboctahedra; and faces with four Mg(5,5)Mg10BiSb cuboctahedra. Sb(1) is bonded to two equivalent Mg(6); four equivalent Mg(3); four Mg(5,5); and two equivalent Bi(1) atoms to form distorted SbMg10Bi2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra; corners with six equivalent Sb(1)Mg10Bi2 cuboctahedra; corners with eight Mg(4,4)Mg12 cuboctahedra; edges with two equivalent Bi(1)Mg10Sb2 cuboctahedra; edges with eight Mg(5,5)Mg10BiSb cuboctahedra; faces with two equivalent Mg(1)Mg12 cuboctahedra; faces with two equivalent Bi(1)Mg10Sb2 cuboctahedra; faces with four Mg(5,5)Mg10BiSb cuboctahedra; and faces with six equivalent Mg(7)Mg11Bi cuboctahedra. is represented by the CIF file [CIF]
data_Mg14BiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.386
_cell_length_b   6.638
_cell_length_c   10.453
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.313
_symmetry_Int_Tables_number   1
_cell_volume   378.619
_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  0.170  0.335  0.625  1.0
  Mg  Mg1  1  0.170  0.835  0.625  1.0
  Mg  Mg2  1  0.667  0.335  0.125  1.0
  Mg  Mg3  1  0.669  0.334  0.625  1.0
  Mg  Mg4  1  0.667  0.833  0.125  1.0
  Mg  Mg5  1  0.669  0.835  0.625  1.0
  Mg  Mg6  1  0.336  0.170  0.381  1.0
  Mg  Mg7  1  0.336  0.170  0.869  1.0
  Mg  Mg8  1  0.336  0.666  0.381  1.0
  Mg  Mg9  1  0.336  0.666  0.869  1.0
  Mg  Mg10  1  0.830  0.165  0.377  1.0
  Mg  Mg11  1  0.830  0.165  0.873  1.0
  Mg  Mg12  1  0.828  0.664  0.380  1.0
  Mg  Mg13  1  0.828  0.664  0.870  1.0
  Bi  Bi14  1  0.165  0.832  0.125  1.0
  Sb  Sb15  1  0.160  0.330  0.125  1.0
[/CIF]
.