The material described by Mg14CrBi 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 Cr(1) atoms to form MgMg10Cr2 cuboctahedra that share corners with four equivalent Bi(1)Mg12 cuboctahedra, corners with six equivalent Mg(1)Mg10Cr2 cuboctahedra, edges with two equivalent Cr(1)Mg12 cuboctahedra, edges with four equivalent Mg(1)Mg10Cr2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with eight equivalent Mg(3)Mg10CrBi cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Cr(1)Mg12 cuboctahedra, faces with four equivalent Mg(1)Mg10Cr2 cuboctahedra, and faces with ten equivalent Mg(3)Mg10CrBi cuboctahedra. In the second Mg site, Mg(2) is bonded in a distorted linear geometry to two equivalent Mg(4), four equivalent Mg(3), and two equivalent Bi(1) 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 Cr(1), and one Bi(1) atom to form distorted MgMg10CrBi cuboctahedra that share corners with four equivalent Mg(4)Mg12 cuboctahedra, corners with fourteen equivalent Mg(3)Mg10CrBi cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Cr(1)Mg12 cuboctahedra, edges with two equivalent Bi(1)Mg12 cuboctahedra, edges with four equivalent Mg(1)Mg10Cr2 cuboctahedra, edges with four equivalent Mg(3)Mg10CrBi cuboctahedra,  a faceface with one Cr(1)Mg12 cuboctahedra,  a faceface with one Bi(1)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with five equivalent Mg(1)Mg10Cr2 cuboctahedra, and faces with six equivalent Mg(3)Mg10CrBi 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)Mg10CrBi cuboctahedra, edges with six equivalent Mg(1)Mg10Cr2 cuboctahedra, edges with six equivalent Mg(3)Mg10CrBi cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent Mg(1)Mg10Cr2 cuboctahedra, faces with three equivalent Cr(1)Mg12 cuboctahedra, faces with three equivalent Bi(1)Mg12 cuboctahedra, and faces with six equivalent Mg(3)Mg10CrBi cuboctahedra. Cr(1) is bonded to six equivalent Mg(1) and six equivalent Mg(3) atoms to form CrMg12 cuboctahedra that share corners with six equivalent Cr(1)Mg12 cuboctahedra, edges with six equivalent Mg(1)Mg10Cr2 cuboctahedra, edges with twelve equivalent Mg(3)Mg10CrBi cuboctahedra, faces with two equivalent Bi(1)Mg12 cuboctahedra, faces with six equivalent Mg(1)Mg10Cr2 cuboctahedra, faces with six equivalent Mg(3)Mg10CrBi cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra. Bi(1) is bonded to six equivalent Mg(2) and six equivalent Mg(3) atoms to form BiMg12 cuboctahedra that share corners with six equivalent Bi(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(1)Mg10Cr2 cuboctahedra, edges with twelve equivalent Mg(3)Mg10CrBi cuboctahedra, faces with two equivalent Cr(1)Mg12 cuboctahedra, faces with six equivalent Mg(3)Mg10CrBi cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra. is represented by the CIF card [CIF]
data_Mg14CrBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.351
_cell_length_b   6.351
_cell_length_c   10.418
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   363.900
_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  0.333  0.167  0.365  1.0
  Mg  Mg7  1  0.333  0.167  0.885  1.0
  Mg  Mg8  1  0.333  0.666  0.365  1.0
  Mg  Mg9  1  0.333  0.666  0.885  1.0
  Mg  Mg10  1  0.834  0.167  0.365  1.0
  Mg  Mg11  1  0.834  0.167  0.885  1.0
  Mg  Mg12  1  0.833  0.667  0.374  1.0
  Mg  Mg13  1  0.833  0.667  0.876  1.0
  Cr  Cr14  1  0.167  0.333  0.125  1.0
  Bi  Bi15  1  0.167  0.333  0.625  1.0
[/CIF]
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The material described by Mg14CrBi 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 Cr(1) atoms to form MgMg10Cr2 cuboctahedra that share corners with four equivalent Bi(1)Mg12 cuboctahedra, corners with six equivalent Mg(1)Mg10Cr2 cuboctahedra, edges with two equivalent Cr(1)Mg12 cuboctahedra, edges with four equivalent Mg(1)Mg10Cr2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with eight equivalent Mg(3)Mg10CrBi cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Cr(1)Mg12 cuboctahedra, faces with four equivalent Mg(1)Mg10Cr2 cuboctahedra, and faces with ten equivalent Mg(3)Mg10CrBi cuboctahedra. In the second Mg site, Mg(2) is bonded in a distorted linear geometry to two equivalent Mg(4), four equivalent Mg(3), and two equivalent Bi(1) 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 Cr(1), and one Bi(1) atom to form distorted MgMg10CrBi cuboctahedra that share corners with four equivalent Mg(4)Mg12 cuboctahedra, corners with fourteen equivalent Mg(3)Mg10CrBi cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Cr(1)Mg12 cuboctahedra, edges with two equivalent Bi(1)Mg12 cuboctahedra, edges with four equivalent Mg(1)Mg10Cr2 cuboctahedra, edges with four equivalent Mg(3)Mg10CrBi cuboctahedra,  a faceface with one Cr(1)Mg12 cuboctahedra,  a faceface with one Bi(1)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with five equivalent Mg(1)Mg10Cr2 cuboctahedra, and faces with six equivalent Mg(3)Mg10CrBi 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)Mg10CrBi cuboctahedra, edges with six equivalent Mg(1)Mg10Cr2 cuboctahedra, edges with six equivalent Mg(3)Mg10CrBi cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent Mg(1)Mg10Cr2 cuboctahedra, faces with three equivalent Cr(1)Mg12 cuboctahedra, faces with three equivalent Bi(1)Mg12 cuboctahedra, and faces with six equivalent Mg(3)Mg10CrBi cuboctahedra. Cr(1) is bonded to six equivalent Mg(1) and six equivalent Mg(3) atoms to form CrMg12 cuboctahedra that share corners with six equivalent Cr(1)Mg12 cuboctahedra, edges with six equivalent Mg(1)Mg10Cr2 cuboctahedra, edges with twelve equivalent Mg(3)Mg10CrBi cuboctahedra, faces with two equivalent Bi(1)Mg12 cuboctahedra, faces with six equivalent Mg(1)Mg10Cr2 cuboctahedra, faces with six equivalent Mg(3)Mg10CrBi cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra. Bi(1) is bonded to six equivalent Mg(2) and six equivalent Mg(3) atoms to form BiMg12 cuboctahedra that share corners with six equivalent Bi(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(1)Mg10Cr2 cuboctahedra, edges with twelve equivalent Mg(3)Mg10CrBi cuboctahedra, faces with two equivalent Cr(1)Mg12 cuboctahedra, faces with six equivalent Mg(3)Mg10CrBi cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra. is represented by the CIF card [CIF]
data_Mg14CrBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.351
_cell_length_b   6.351
_cell_length_c   10.418
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   363.900
_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  0.333  0.167  0.365  1.0
  Mg  Mg7  1  0.333  0.167  0.885  1.0
  Mg  Mg8  1  0.333  0.666  0.365  1.0
  Mg  Mg9  1  0.333  0.666  0.885  1.0
  Mg  Mg10  1  0.834  0.167  0.365  1.0
  Mg  Mg11  1  0.834  0.167  0.885  1.0
  Mg  Mg12  1  0.833  0.667  0.374  1.0
  Mg  Mg13  1  0.833  0.667  0.876  1.0
  Cr  Cr14  1  0.167  0.333  0.125  1.0
  Bi  Bi15  1  0.167  0.333  0.625  1.0
[/CIF]
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