The compound described by KMg6Fe 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 Fe(1) atoms to form distorted KMg10Fe2 cuboctahedra that share corners with four equivalent Fe(1)K2Mg10 cuboctahedra, corners with six equivalent K(1)Mg10Fe2 cuboctahedra, edges with two equivalent Fe(1)K2Mg10 cuboctahedra, faces with two equivalent K(1)Mg10Fe2 cuboctahedra, and faces with two equivalent Fe(1)K2Mg10 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to two equivalent K(1), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Fe(1) atoms. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent K(1), one Mg(4), two equivalent Mg(3), and two equivalent Fe(1) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to four equivalent Mg(1), four equivalent Mg(2), and two equivalent Fe(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 8-coordinate geometry to two equivalent K(1), two equivalent Mg(2), and four equivalent Mg(1) atoms. Fe(1) is bonded to two equivalent K(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted FeK2Mg10 cuboctahedra that share corners with four equivalent K(1)Mg10Fe2 cuboctahedra, corners with six equivalent Fe(1)K2Mg10 cuboctahedra, edges with two equivalent K(1)Mg10Fe2 cuboctahedra, faces with two equivalent K(1)Mg10Fe2 cuboctahedra, and faces with two equivalent Fe(1)K2Mg10 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMg6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.065
_cell_length_b   6.467
_cell_length_c   6.467
_cell_angle_alpha   113.568
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   194.141
_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
  Fe  Fe0  1  0.500  0.134  0.866  1.0
  K  K1  1  0.500  0.651  0.349  1.0
  Mg  Mg2  1  0.500  0.665  0.847  1.0
  Mg  Mg3  1  0.500  0.153  0.335  1.0
  Mg  Mg4  1  1.000  0.888  0.690  1.0
  Mg  Mg5  1  1.000  0.310  0.112  1.0
  Mg  Mg6  1  0.000  0.345  0.655  1.0
  Mg  Mg7  1  0.000  0.855  0.145  1.0
[/CIF]
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The compound described by KMg6Fe 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 Fe(1) atoms to form distorted KMg10Fe2 cuboctahedra that share corners with four equivalent Fe(1)K2Mg10 cuboctahedra, corners with six equivalent K(1)Mg10Fe2 cuboctahedra, edges with two equivalent Fe(1)K2Mg10 cuboctahedra, faces with two equivalent K(1)Mg10Fe2 cuboctahedra, and faces with two equivalent Fe(1)K2Mg10 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to two equivalent K(1), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Fe(1) atoms. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent K(1), one Mg(4), two equivalent Mg(3), and two equivalent Fe(1) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to four equivalent Mg(1), four equivalent Mg(2), and two equivalent Fe(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 8-coordinate geometry to two equivalent K(1), two equivalent Mg(2), and four equivalent Mg(1) atoms. Fe(1) is bonded to two equivalent K(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted FeK2Mg10 cuboctahedra that share corners with four equivalent K(1)Mg10Fe2 cuboctahedra, corners with six equivalent Fe(1)K2Mg10 cuboctahedra, edges with two equivalent K(1)Mg10Fe2 cuboctahedra, faces with two equivalent K(1)Mg10Fe2 cuboctahedra, and faces with two equivalent Fe(1)K2Mg10 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMg6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.065
_cell_length_b   6.467
_cell_length_c   6.467
_cell_angle_alpha   113.568
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   194.141
_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
  Fe  Fe0  1  0.500  0.134  0.866  1.0
  K  K1  1  0.500  0.651  0.349  1.0
  Mg  Mg2  1  0.500  0.665  0.847  1.0
  Mg  Mg3  1  0.500  0.153  0.335  1.0
  Mg  Mg4  1  1.000  0.888  0.690  1.0
  Mg  Mg5  1  1.000  0.310  0.112  1.0
  Mg  Mg6  1  0.000  0.345  0.655  1.0
  Mg  Mg7  1  0.000  0.855  0.145  1.0
[/CIF]
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