The material described by Mg14CuSi crystallizes in the orthorhombic Amm2 space group. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(6), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Cu2Si2 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with four equivalent Mg(6)Mg11Cu cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(6)Mg11Cu cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with four equivalent Mg(4)Mg12 cuboctahedra, and faces with six equivalent Mg(7)Mg11Si cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(7), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(2)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Cu2Si2 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(7)Mg11Si cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(7)Mg11Si cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with four equivalent Mg(4)Mg12 cuboctahedra, and faces with six equivalent Mg(6)Mg11Cu cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(3), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), two equivalent Cu(1), and two equivalent Si(1) atoms to form distorted MgMg8Cu2Si2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with four equivalent Mg(4)Mg12 cuboctahedra, corners with six equivalent Mg(3)Mg8Cu2Si2 cuboctahedra, edges with two equivalent Mg(3)Mg8Cu2Si2 cuboctahedra, edges with four equivalent Mg(6)Mg11Cu cuboctahedra, edges with four equivalent Mg(7)Mg11Si cuboctahedra, faces with two equivalent Mg(6)Mg11Cu cuboctahedra, faces with two equivalent Mg(7)Mg11Si cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with two equivalent Mg(3)Mg8Cu2Si2 cuboctahedra. 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 Mg(3)Mg8Cu2Si2 cuboctahedra, corners with six equivalent Mg(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(6)Mg11Cu cuboctahedra, edges with four equivalent Mg(7)Mg11Si cuboctahedra, faces with two equivalent Mg(6)Mg11Cu cuboctahedra, faces with two equivalent Mg(7)Mg11Si 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 two equivalent Mg(3)Mg8Cu2Si2 cuboctahedra. In the fifth Mg site, Mg(5) is bonded in a 2-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(6), two equivalent Mg(7), one Cu(1), and one Si(1) atom. In the sixth Mg site, Mg(6) is bonded to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(7), four equivalent Mg(5), and one Cu(1) atom to form distorted MgMg11Cu cuboctahedra that share corners with four equivalent Mg(7)Mg11Si cuboctahedra, corners with six equivalent Mg(6)Mg11Cu cuboctahedra, edges with two equivalent Mg(7)Mg11Si cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(3)Mg8Cu2Si2 cuboctahedra,  a faceface with one Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(6)Mg11Cu cuboctahedra, faces with two equivalent Mg(7)Mg11Si cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Cu2Si2 cuboctahedra, and faces with three equivalent Mg(2)Mg12 cuboctahedra. In the seventh Mg site, Mg(7) is bonded to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), four equivalent Mg(5), and one Si(1) atom to form distorted MgMg11Si cuboctahedra that share corners with four equivalent Mg(6)Mg11Cu cuboctahedra, corners with six equivalent Mg(7)Mg11Si cuboctahedra, edges with two equivalent Mg(6)Mg11Cu cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(3)Mg8Cu2Si2 cuboctahedra,  a faceface with one Mg(2)Mg12 cuboctahedra, faces with two equivalent Mg(6)Mg11Cu cuboctahedra, faces with two equivalent Mg(7)Mg11Si cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Cu2Si2 cuboctahedra, and faces with three equivalent Mg(1)Mg12 cuboctahedra. Cu(1) is bonded in a 10-coordinate geometry to two equivalent Mg(6), four equivalent Mg(3), and four equivalent Mg(5) atoms. Si(1) is bonded in a 10-coordinate geometry to two equivalent Mg(7), four equivalent Mg(3), and four equivalent Mg(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg14CuSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.176
_cell_length_b   6.176
_cell_length_c   10.188
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.477
_symmetry_Int_Tables_number   1
_cell_volume   338.288
_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  0.665  0.335  0.500  1.0
  Mg  Mg1  1  0.165  0.835  0.500  1.0
  Mg  Mg2  1  0.659  0.840  0.000  1.0
  Mg  Mg3  1  0.667  0.832  0.500  1.0
  Mg  Mg4  1  0.160  0.341  0.000  1.0
  Mg  Mg5  1  0.168  0.333  0.500  1.0
  Mg  Mg6  1  0.836  0.662  0.231  1.0
  Mg  Mg7  1  0.836  0.662  0.769  1.0
  Mg  Mg8  1  0.338  0.164  0.231  1.0
  Mg  Mg9  1  0.338  0.164  0.769  1.0
  Mg  Mg10  1  0.832  0.168  0.246  1.0
  Mg  Mg11  1  0.832  0.168  0.754  1.0
  Mg  Mg12  1  0.332  0.668  0.248  1.0
  Mg  Mg13  1  0.332  0.668  0.752  1.0
  Cu  Cu14  1  0.667  0.333  0.000  1.0
  Si  Si15  1  0.170  0.830  0.000  1.0
[/CIF]
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The material described by Mg14CuSi crystallizes in the orthorhombic Amm2 space group. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(6), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(1)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Cu2Si2 cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with four equivalent Mg(6)Mg11Cu cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(6)Mg11Cu cuboctahedra, faces with two equivalent Mg(2)Mg12 cuboctahedra, faces with four equivalent Mg(4)Mg12 cuboctahedra, and faces with six equivalent Mg(7)Mg11Si cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(7), four equivalent Mg(4), and four equivalent Mg(5) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(2)Mg12 cuboctahedra, corners with eight equivalent Mg(3)Mg8Cu2Si2 cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(7)Mg11Si cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(7)Mg11Si cuboctahedra, faces with two equivalent Mg(1)Mg12 cuboctahedra, faces with four equivalent Mg(4)Mg12 cuboctahedra, and faces with six equivalent Mg(6)Mg11Cu cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(3), two equivalent Mg(5), two equivalent Mg(6), two equivalent Mg(7), two equivalent Cu(1), and two equivalent Si(1) atoms to form distorted MgMg8Cu2Si2 cuboctahedra that share corners with four equivalent Mg(1)Mg12 cuboctahedra, corners with four equivalent Mg(2)Mg12 cuboctahedra, corners with four equivalent Mg(4)Mg12 cuboctahedra, corners with six equivalent Mg(3)Mg8Cu2Si2 cuboctahedra, edges with two equivalent Mg(3)Mg8Cu2Si2 cuboctahedra, edges with four equivalent Mg(6)Mg11Cu cuboctahedra, edges with four equivalent Mg(7)Mg11Si cuboctahedra, faces with two equivalent Mg(6)Mg11Cu cuboctahedra, faces with two equivalent Mg(7)Mg11Si cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with two equivalent Mg(3)Mg8Cu2Si2 cuboctahedra. 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 Mg(3)Mg8Cu2Si2 cuboctahedra, corners with six equivalent Mg(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(6)Mg11Cu cuboctahedra, edges with four equivalent Mg(7)Mg11Si cuboctahedra, faces with two equivalent Mg(6)Mg11Cu cuboctahedra, faces with two equivalent Mg(7)Mg11Si 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 two equivalent Mg(3)Mg8Cu2Si2 cuboctahedra. In the fifth Mg site, Mg(5) is bonded in a 2-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(6), two equivalent Mg(7), one Cu(1), and one Si(1) atom. In the sixth Mg site, Mg(6) is bonded to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(7), four equivalent Mg(5), and one Cu(1) atom to form distorted MgMg11Cu cuboctahedra that share corners with four equivalent Mg(7)Mg11Si cuboctahedra, corners with six equivalent Mg(6)Mg11Cu cuboctahedra, edges with two equivalent Mg(7)Mg11Si cuboctahedra, edges with two equivalent Mg(1)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(3)Mg8Cu2Si2 cuboctahedra,  a faceface with one Mg(1)Mg12 cuboctahedra, faces with two equivalent Mg(6)Mg11Cu cuboctahedra, faces with two equivalent Mg(7)Mg11Si cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Cu2Si2 cuboctahedra, and faces with three equivalent Mg(2)Mg12 cuboctahedra. In the seventh Mg site, Mg(7) is bonded to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), four equivalent Mg(5), and one Si(1) atom to form distorted MgMg11Si cuboctahedra that share corners with four equivalent Mg(6)Mg11Cu cuboctahedra, corners with six equivalent Mg(7)Mg11Si cuboctahedra, edges with two equivalent Mg(6)Mg11Cu cuboctahedra, edges with two equivalent Mg(2)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(3)Mg8Cu2Si2 cuboctahedra,  a faceface with one Mg(2)Mg12 cuboctahedra, faces with two equivalent Mg(6)Mg11Cu cuboctahedra, faces with two equivalent Mg(7)Mg11Si cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(3)Mg8Cu2Si2 cuboctahedra, and faces with three equivalent Mg(1)Mg12 cuboctahedra. Cu(1) is bonded in a 10-coordinate geometry to two equivalent Mg(6), four equivalent Mg(3), and four equivalent Mg(5) atoms. Si(1) is bonded in a 10-coordinate geometry to two equivalent Mg(7), four equivalent Mg(3), and four equivalent Mg(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg14CuSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.176
_cell_length_b   6.176
_cell_length_c   10.188
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.477
_symmetry_Int_Tables_number   1
_cell_volume   338.288
_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  0.665  0.335  0.500  1.0
  Mg  Mg1  1  0.165  0.835  0.500  1.0
  Mg  Mg2  1  0.659  0.840  0.000  1.0
  Mg  Mg3  1  0.667  0.832  0.500  1.0
  Mg  Mg4  1  0.160  0.341  0.000  1.0
  Mg  Mg5  1  0.168  0.333  0.500  1.0
  Mg  Mg6  1  0.836  0.662  0.231  1.0
  Mg  Mg7  1  0.836  0.662  0.769  1.0
  Mg  Mg8  1  0.338  0.164  0.231  1.0
  Mg  Mg9  1  0.338  0.164  0.769  1.0
  Mg  Mg10  1  0.832  0.168  0.246  1.0
  Mg  Mg11  1  0.832  0.168  0.754  1.0
  Mg  Mg12  1  0.332  0.668  0.248  1.0
  Mg  Mg13  1  0.332  0.668  0.752  1.0
  Cu  Cu14  1  0.667  0.333  0.000  1.0
  Si  Si15  1  0.170  0.830  0.000  1.0
[/CIF]
.