The material structure described by Mg14SiBi crystallizes in the orthorhombic Amm2 space group. There are eleven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2); two equivalent Mg(6); four Mg(4,4,4); and four Mg(5,5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Bi(1)Mg10Si2 cuboctahedra; corners with six equivalent Mg(1)Mg12 cuboctahedra; edges with two equivalent Mg(2)Mg12 cuboctahedra; edges with four Mg(4,4,4)Mg12 cuboctahedra; faces with two equivalent Mg(2)Mg12 cuboctahedra; faces with two equivalent Si(1)Mg10Bi2 cuboctahedra; and faces with four Mg(4,4,4)Mg12 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1); two equivalent Mg(7); four Mg(4,4,4); and four Mg(5,5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Si(1)Mg10Bi2 cuboctahedra; corners with six equivalent Mg(2)Mg12 cuboctahedra; edges with two equivalent Mg(1)Mg12 cuboctahedra; edges with four Mg(4,4,4)Mg12 cuboctahedra; faces with two equivalent Mg(1)Mg12 cuboctahedra; faces with two equivalent Bi(1)Mg10Si2 cuboctahedra; and faces with four Mg(4,4,4)Mg12 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(3); two Mg(5,5); two equivalent Mg(6); two equivalent Mg(7); two equivalent Si(1); and two equivalent Bi(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 Mg(5,5); two equivalent Mg(6); and two equivalent Mg(7) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Si(1)Mg10Bi2 cuboctahedra; corners with four equivalent Bi(1)Mg10Si2 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; 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 Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), one Si(1), and one Bi(1) atom. In the sixth Mg site, Mg(5) is bonded in a 12-coordinate geometry 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 Si(1), and one Bi(1) atom. In the seventh Mg site, Mg(5) is bonded in a 12-coordinate geometry 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 Si(1), and one Bi(1) atom. In the eighth Mg site, Mg(6) is bonded in a distorted single-bond geometry to one Mg(1); two equivalent Mg(3); two Mg(4,4); four Mg(5,5); and one Si(1) atom. In the ninth Mg site, Mg(7) is bonded in a distorted single-bond geometry to one Mg(2); two equivalent Mg(3); two Mg(4,4); four Mg(5,5); and one Bi(1) atom. In the tenth 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 Si(1)Mg10Bi2 cuboctahedra; corners with four equivalent Bi(1)Mg10Si2 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; 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 eleventh 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 Si(1)Mg10Bi2 cuboctahedra; corners with four equivalent Bi(1)Mg10Si2 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; 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. Si(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 SiMg10Bi2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra; corners with six equivalent Si(1)Mg10Bi2 cuboctahedra; corners with eight Mg(4,4,4)Mg12 cuboctahedra; edges with two equivalent Bi(1)Mg10Si2 cuboctahedra; faces with two equivalent Mg(1)Mg12 cuboctahedra; and faces with two equivalent Bi(1)Mg10Si2 cuboctahedra. Bi(1) is bonded to two equivalent Mg(7); four equivalent Mg(3); four Mg(5,5); and two equivalent Si(1) atoms to form distorted BiMg10Si2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra; corners with six equivalent Bi(1)Mg10Si2 cuboctahedra; corners with eight Mg(4,4,4)Mg12 cuboctahedra; edges with two equivalent Si(1)Mg10Bi2 cuboctahedra; faces with two equivalent Mg(2)Mg12 cuboctahedra; and faces with two equivalent Si(1)Mg10Bi2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg14SiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.344
_cell_length_b   6.569
_cell_length_c   10.265
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.180
_symmetry_Int_Tables_number   1
_cell_volume   365.950
_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  0.171  0.836  0.625  1.0
  Mg  Mg2  1  0.670  0.336  0.125  1.0
  Mg  Mg3  1  0.668  0.333  0.625  1.0
  Mg  Mg4  1  0.670  0.834  0.125  1.0
  Mg  Mg5  1  0.668  0.835  0.625  1.0
  Mg  Mg6  1  0.331  0.173  0.374  1.0
  Mg  Mg7  1  0.331  0.173  0.876  1.0
  Mg  Mg8  1  0.331  0.658  0.374  1.0
  Mg  Mg9  1  0.331  0.658  0.876  1.0
  Mg  Mg10  1  0.838  0.169  0.370  1.0
  Mg  Mg11  1  0.838  0.169  0.880  1.0
  Mg  Mg12  1  0.829  0.664  0.380  1.0
  Mg  Mg13  1  0.829  0.664  0.870  1.0
  Si  Si14  1  0.162  0.331  0.125  1.0
  Bi  Bi15  1  0.164  0.832  0.125  1.0
[/CIF]
.
The material structure described by Mg14SiBi crystallizes in the orthorhombic Amm2 space group. There are eleven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2); two equivalent Mg(6); four Mg(4,4,4); and four Mg(5,5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Bi(1)Mg10Si2 cuboctahedra; corners with six equivalent Mg(1)Mg12 cuboctahedra; edges with two equivalent Mg(2)Mg12 cuboctahedra; edges with four Mg(4,4,4)Mg12 cuboctahedra; faces with two equivalent Mg(2)Mg12 cuboctahedra; faces with two equivalent Si(1)Mg10Bi2 cuboctahedra; and faces with four Mg(4,4,4)Mg12 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1); two equivalent Mg(7); four Mg(4,4,4); and four Mg(5,5) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Si(1)Mg10Bi2 cuboctahedra; corners with six equivalent Mg(2)Mg12 cuboctahedra; edges with two equivalent Mg(1)Mg12 cuboctahedra; edges with four Mg(4,4,4)Mg12 cuboctahedra; faces with two equivalent Mg(1)Mg12 cuboctahedra; faces with two equivalent Bi(1)Mg10Si2 cuboctahedra; and faces with four Mg(4,4,4)Mg12 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(3); two Mg(5,5); two equivalent Mg(6); two equivalent Mg(7); two equivalent Si(1); and two equivalent Bi(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 Mg(5,5); two equivalent Mg(6); and two equivalent Mg(7) atoms to form MgMg12 cuboctahedra that share corners with four equivalent Si(1)Mg10Bi2 cuboctahedra; corners with four equivalent Bi(1)Mg10Si2 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; 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 Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), one Si(1), and one Bi(1) atom. In the sixth Mg site, Mg(5) is bonded in a 12-coordinate geometry 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 Si(1), and one Bi(1) atom. In the seventh Mg site, Mg(5) is bonded in a 12-coordinate geometry 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 Si(1), and one Bi(1) atom. In the eighth Mg site, Mg(6) is bonded in a distorted single-bond geometry to one Mg(1); two equivalent Mg(3); two Mg(4,4); four Mg(5,5); and one Si(1) atom. In the ninth Mg site, Mg(7) is bonded in a distorted single-bond geometry to one Mg(2); two equivalent Mg(3); two Mg(4,4); four Mg(5,5); and one Bi(1) atom. In the tenth 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 Si(1)Mg10Bi2 cuboctahedra; corners with four equivalent Bi(1)Mg10Si2 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; 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 eleventh 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 Si(1)Mg10Bi2 cuboctahedra; corners with four equivalent Bi(1)Mg10Si2 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; 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. Si(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 SiMg10Bi2 cuboctahedra that share corners with four equivalent Mg(2)Mg12 cuboctahedra; corners with six equivalent Si(1)Mg10Bi2 cuboctahedra; corners with eight Mg(4,4,4)Mg12 cuboctahedra; edges with two equivalent Bi(1)Mg10Si2 cuboctahedra; faces with two equivalent Mg(1)Mg12 cuboctahedra; and faces with two equivalent Bi(1)Mg10Si2 cuboctahedra. Bi(1) is bonded to two equivalent Mg(7); four equivalent Mg(3); four Mg(5,5); and two equivalent Si(1) atoms to form distorted BiMg10Si2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra; corners with six equivalent Bi(1)Mg10Si2 cuboctahedra; corners with eight Mg(4,4,4)Mg12 cuboctahedra; edges with two equivalent Si(1)Mg10Bi2 cuboctahedra; faces with two equivalent Mg(2)Mg12 cuboctahedra; and faces with two equivalent Si(1)Mg10Bi2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg14SiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.344
_cell_length_b   6.569
_cell_length_c   10.265
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.180
_symmetry_Int_Tables_number   1
_cell_volume   365.950
_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  0.171  0.836  0.625  1.0
  Mg  Mg2  1  0.670  0.336  0.125  1.0
  Mg  Mg3  1  0.668  0.333  0.625  1.0
  Mg  Mg4  1  0.670  0.834  0.125  1.0
  Mg  Mg5  1  0.668  0.835  0.625  1.0
  Mg  Mg6  1  0.331  0.173  0.374  1.0
  Mg  Mg7  1  0.331  0.173  0.876  1.0
  Mg  Mg8  1  0.331  0.658  0.374  1.0
  Mg  Mg9  1  0.331  0.658  0.876  1.0
  Mg  Mg10  1  0.838  0.169  0.370  1.0
  Mg  Mg11  1  0.838  0.169  0.880  1.0
  Mg  Mg12  1  0.829  0.664  0.380  1.0
  Mg  Mg13  1  0.829  0.664  0.870  1.0
  Si  Si14  1  0.162  0.331  0.125  1.0
  Bi  Bi15  1  0.164  0.832  0.125  1.0
[/CIF]
.