The material structure described by KMg6Cu crystallizes in the orthorhombic Amm2 space group. K(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Cu(1) atoms to form KMg10Cu2 cuboctahedra that share corners with four equivalent Cu(1)K2Mg10 cuboctahedra, corners with six equivalent K(1)Mg10Cu2 cuboctahedra, corners with eight equivalent Mg(1)K2Mg8Cu2 cuboctahedra, edges with two equivalent Cu(1)K2Mg10 cuboctahedra, edges with four equivalent Mg(1)K2Mg8Cu2 cuboctahedra, faces with two equivalent K(1)Mg10Cu2 cuboctahedra, faces with two equivalent Cu(1)K2Mg10 cuboctahedra, and faces with four equivalent Mg(1)K2Mg8Cu2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent K(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Cu(1) atoms to form distorted MgK2Mg8Cu2 cuboctahedra that share corners with four equivalent K(1)Mg10Cu2 cuboctahedra, corners with four equivalent Cu(1)K2Mg10 cuboctahedra, corners with ten equivalent Mg(1)K2Mg8Cu2 cuboctahedra, edges with two equivalent K(1)Mg10Cu2 cuboctahedra, edges with two equivalent Mg(1)K2Mg8Cu2 cuboctahedra, edges with two equivalent Cu(1)K2Mg10 cuboctahedra, faces with two equivalent K(1)Mg10Cu2 cuboctahedra, faces with two equivalent Cu(1)K2Mg10 cuboctahedra, and faces with four equivalent Mg(1)K2Mg8Cu2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent K(1), two equivalent Mg(1), two equivalent Mg(4), and two equivalent Cu(1) atoms. In the third Mg site, Mg(3) is bonded in a distorted water-like geometry to two equivalent Mg(4), four equivalent Mg(1), and two equivalent Cu(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 12-coordinate geometry to two equivalent K(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms. Cu(1) is bonded to two equivalent K(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form CuK2Mg10 cuboctahedra that share corners with four equivalent K(1)Mg10Cu2 cuboctahedra, corners with six equivalent Cu(1)K2Mg10 cuboctahedra, corners with eight equivalent Mg(1)K2Mg8Cu2 cuboctahedra, edges with two equivalent K(1)Mg10Cu2 cuboctahedra, edges with four equivalent Mg(1)K2Mg8Cu2 cuboctahedra, faces with two equivalent K(1)Mg10Cu2 cuboctahedra, faces with two equivalent Cu(1)K2Mg10 cuboctahedra, and faces with four equivalent Mg(1)K2Mg8Cu2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMg6Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.239
_cell_length_b   6.515
_cell_length_c   6.604
_cell_angle_alpha   119.558
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.089
_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
  Cu  Cu0  1  0.500  0.163  0.327  1.0
  K  K1  1  0.500  0.666  0.332  1.0
  Mg  Mg2  1  0.500  0.671  0.834  1.0
  Mg  Mg3  1  0.500  0.163  0.834  1.0
  Mg  Mg4  1  1.000  0.853  0.166  1.0
  Mg  Mg5  1  1.000  0.313  0.166  1.0
  Mg  Mg6  1  1.000  0.328  0.656  1.0
  Mg  Mg7  1  1.000  0.842  0.684  1.0
[/CIF]
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The material structure described by KMg6Cu crystallizes in the orthorhombic Amm2 space group. K(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Cu(1) atoms to form KMg10Cu2 cuboctahedra that share corners with four equivalent Cu(1)K2Mg10 cuboctahedra, corners with six equivalent K(1)Mg10Cu2 cuboctahedra, corners with eight equivalent Mg(1)K2Mg8Cu2 cuboctahedra, edges with two equivalent Cu(1)K2Mg10 cuboctahedra, edges with four equivalent Mg(1)K2Mg8Cu2 cuboctahedra, faces with two equivalent K(1)Mg10Cu2 cuboctahedra, faces with two equivalent Cu(1)K2Mg10 cuboctahedra, and faces with four equivalent Mg(1)K2Mg8Cu2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent K(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Cu(1) atoms to form distorted MgK2Mg8Cu2 cuboctahedra that share corners with four equivalent K(1)Mg10Cu2 cuboctahedra, corners with four equivalent Cu(1)K2Mg10 cuboctahedra, corners with ten equivalent Mg(1)K2Mg8Cu2 cuboctahedra, edges with two equivalent K(1)Mg10Cu2 cuboctahedra, edges with two equivalent Mg(1)K2Mg8Cu2 cuboctahedra, edges with two equivalent Cu(1)K2Mg10 cuboctahedra, faces with two equivalent K(1)Mg10Cu2 cuboctahedra, faces with two equivalent Cu(1)K2Mg10 cuboctahedra, and faces with four equivalent Mg(1)K2Mg8Cu2 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent K(1), two equivalent Mg(1), two equivalent Mg(4), and two equivalent Cu(1) atoms. In the third Mg site, Mg(3) is bonded in a distorted water-like geometry to two equivalent Mg(4), four equivalent Mg(1), and two equivalent Cu(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 12-coordinate geometry to two equivalent K(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms. Cu(1) is bonded to two equivalent K(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form CuK2Mg10 cuboctahedra that share corners with four equivalent K(1)Mg10Cu2 cuboctahedra, corners with six equivalent Cu(1)K2Mg10 cuboctahedra, corners with eight equivalent Mg(1)K2Mg8Cu2 cuboctahedra, edges with two equivalent K(1)Mg10Cu2 cuboctahedra, edges with four equivalent Mg(1)K2Mg8Cu2 cuboctahedra, faces with two equivalent K(1)Mg10Cu2 cuboctahedra, faces with two equivalent Cu(1)K2Mg10 cuboctahedra, and faces with four equivalent Mg(1)K2Mg8Cu2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMg6Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.239
_cell_length_b   6.515
_cell_length_c   6.604
_cell_angle_alpha   119.558
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.089
_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
  Cu  Cu0  1  0.500  0.163  0.327  1.0
  K  K1  1  0.500  0.666  0.332  1.0
  Mg  Mg2  1  0.500  0.671  0.834  1.0
  Mg  Mg3  1  0.500  0.163  0.834  1.0
  Mg  Mg4  1  1.000  0.853  0.166  1.0
  Mg  Mg5  1  1.000  0.313  0.166  1.0
  Mg  Mg6  1  1.000  0.328  0.656  1.0
  Mg  Mg7  1  1.000  0.842  0.684  1.0
[/CIF]
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