The material described by KNaMg6 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded to two equivalent Na(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms to form KNa2Mg10 cuboctahedra that share corners with six equivalent K(1)Na2Mg10 cuboctahedra, edges with four equivalent Na(1)K2Mg10 cuboctahedra, faces with two equivalent K(1)Na2Mg10 cuboctahedra, faces with two equivalent Na(1)K2Mg10 cuboctahedra, and faces with six equivalent Mg(4)Na2Mg10 cuboctahedra. Na(1) is bonded to two equivalent K(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form NaK2Mg10 cuboctahedra that share corners with four equivalent Mg(4)Na2Mg10 cuboctahedra, corners with six equivalent Na(1)K2Mg10 cuboctahedra, edges with two equivalent Mg(4)Na2Mg10 cuboctahedra, edges with four equivalent K(1)Na2Mg10 cuboctahedra, faces with two equivalent K(1)Na2Mg10 cuboctahedra, faces with two equivalent Na(1)K2Mg10 cuboctahedra, and faces with two equivalent Mg(4)Na2Mg10 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 4-coordinate geometry to two equivalent K(1), two equivalent Na(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent K(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a 11-coordinate geometry to two equivalent K(1), two equivalent Na(1), one Mg(3), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(4) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Na(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted MgNa2Mg10 cuboctahedra that share corners with four equivalent Na(1)K2Mg10 cuboctahedra, corners with six equivalent Mg(4)Na2Mg10 cuboctahedra, edges with two equivalent Na(1)K2Mg10 cuboctahedra, faces with two equivalent Na(1)K2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, and faces with six equivalent K(1)Na2Mg10 cuboctahedra. is represented by the CIF card [CIF]
data_KNaMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.384
_cell_length_b   6.876
_cell_length_c   6.876
_cell_angle_alpha   119.536
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   221.513
_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
  K  K0  1  0.000  0.171  0.829  1.0
  Mg  Mg1  1  1.000  0.678  0.835  1.0
  Mg  Mg2  1  1.000  0.165  0.322  1.0
  Mg  Mg3  1  0.000  0.665  0.335  1.0
  Mg  Mg4  1  0.500  0.806  0.655  1.0
  Mg  Mg5  1  0.500  0.345  0.194  1.0
  Mg  Mg6  1  0.500  0.833  0.167  1.0
  Na  Na7  1  0.500  0.338  0.662  1.0
[/CIF]
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The material described by KNaMg6 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded to two equivalent Na(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms to form KNa2Mg10 cuboctahedra that share corners with six equivalent K(1)Na2Mg10 cuboctahedra, edges with four equivalent Na(1)K2Mg10 cuboctahedra, faces with two equivalent K(1)Na2Mg10 cuboctahedra, faces with two equivalent Na(1)K2Mg10 cuboctahedra, and faces with six equivalent Mg(4)Na2Mg10 cuboctahedra. Na(1) is bonded to two equivalent K(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form NaK2Mg10 cuboctahedra that share corners with four equivalent Mg(4)Na2Mg10 cuboctahedra, corners with six equivalent Na(1)K2Mg10 cuboctahedra, edges with two equivalent Mg(4)Na2Mg10 cuboctahedra, edges with four equivalent K(1)Na2Mg10 cuboctahedra, faces with two equivalent K(1)Na2Mg10 cuboctahedra, faces with two equivalent Na(1)K2Mg10 cuboctahedra, and faces with two equivalent Mg(4)Na2Mg10 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 4-coordinate geometry to two equivalent K(1), two equivalent Na(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms. In the second Mg site, Mg(2) is bonded in a 12-coordinate geometry to two equivalent K(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a 11-coordinate geometry to two equivalent K(1), two equivalent Na(1), one Mg(3), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(4) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Na(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted MgNa2Mg10 cuboctahedra that share corners with four equivalent Na(1)K2Mg10 cuboctahedra, corners with six equivalent Mg(4)Na2Mg10 cuboctahedra, edges with two equivalent Na(1)K2Mg10 cuboctahedra, faces with two equivalent Na(1)K2Mg10 cuboctahedra, faces with two equivalent Mg(4)Na2Mg10 cuboctahedra, and faces with six equivalent K(1)Na2Mg10 cuboctahedra. is represented by the CIF card [CIF]
data_KNaMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.384
_cell_length_b   6.876
_cell_length_c   6.876
_cell_angle_alpha   119.536
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   221.513
_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
  K  K0  1  0.000  0.171  0.829  1.0
  Mg  Mg1  1  1.000  0.678  0.835  1.0
  Mg  Mg2  1  1.000  0.165  0.322  1.0
  Mg  Mg3  1  0.000  0.665  0.335  1.0
  Mg  Mg4  1  0.500  0.806  0.655  1.0
  Mg  Mg5  1  0.500  0.345  0.194  1.0
  Mg  Mg6  1  0.500  0.833  0.167  1.0
  Na  Na7  1  0.500  0.338  0.662  1.0
[/CIF]
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