The compound described by KCaMg6 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded to two equivalent Ca(1); two equivalent Mg(4); four Mg(1,1); and four Mg(3,3,3,3) atoms to form KCa2Mg10 cuboctahedra that share corners with four equivalent Mg(4)K2Mg10 cuboctahedra; corners with six equivalent K(1)Ca2Mg10 cuboctahedra; corners with eight Mg(3,3,3,3)K2Ca2Mg8 cuboctahedra; edges with two equivalent Mg(4)K2Mg10 cuboctahedra; edges with four equivalent Ca(1)K2Mg10 cuboctahedra; edges with four Mg(3,3,3,3)K2Ca2Mg8 cuboctahedra; faces with two equivalent K(1)Ca2Mg10 cuboctahedra; faces with two equivalent Ca(1)K2Mg10 cuboctahedra; faces with two equivalent Mg(4)K2Mg10 cuboctahedra; faces with four Mg(3,3,3,3)K2Ca2Mg8 cuboctahedra; and faces with six equivalent Mg(2)Ca2Mg10 cuboctahedra. Ca(1) is bonded to two equivalent K(1); two equivalent Mg(2); four Mg(1,1,1); and four Mg(3,3) atoms to form CaK2Mg10 cuboctahedra that share corners with four equivalent Mg(2)Ca2Mg10 cuboctahedra; corners with six equivalent Ca(1)K2Mg10 cuboctahedra; edges with two equivalent Mg(2)Ca2Mg10 cuboctahedra; edges with four equivalent K(1)Ca2Mg10 cuboctahedra; edges with eight Mg(3,3,3,3)K2Ca2Mg8 cuboctahedra; faces with two equivalent K(1)Ca2Mg10 cuboctahedra; faces with two equivalent Ca(1)K2Mg10 cuboctahedra; faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra; faces with four Mg(3,3)K2Ca2Mg8 cuboctahedra; and faces with six equivalent Mg(4)K2Mg10 cuboctahedra. There are nine inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to two equivalent K(1), two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms. In the second Mg site, Mg(1) is bonded in a 12-coordinate geometry to two equivalent K(1), two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms. In the third Mg site, Mg(2) is bonded to two equivalent Ca(1); two equivalent Mg(4); four Mg(1,1,1); and four Mg(3,3) atoms to form distorted MgCa2Mg10 cuboctahedra that share corners with four equivalent Ca(1)K2Mg10 cuboctahedra; corners with six equivalent Mg(2)Ca2Mg10 cuboctahedra; edges with two equivalent Ca(1)K2Mg10 cuboctahedra; edges with four equivalent Mg(4)K2Mg10 cuboctahedra; edges with eight Mg(3,3,3,3)K2Ca2Mg8 cuboctahedra; faces with two equivalent Ca(1)K2Mg10 cuboctahedra; faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(4)K2Mg10 cuboctahedra; faces with four Mg(3,3)K2Ca2Mg8 cuboctahedra; and faces with six equivalent K(1)Ca2Mg10 cuboctahedra. In the fourth Mg site, Mg(3) is bonded to two equivalent K(1), two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted MgK2Ca2Mg8 cuboctahedra that share corners with four equivalent K(1)Ca2Mg10 cuboctahedra; corners with four equivalent Mg(4)K2Mg10 cuboctahedra; corners with ten Mg(3,3,3)K2Ca2Mg8 cuboctahedra; edges with two equivalent K(1)Ca2Mg10 cuboctahedra; edges with two equivalent Mg(3)K2Ca2Mg8 cuboctahedra; edges with two equivalent Mg(4)K2Mg10 cuboctahedra; edges with four equivalent Ca(1)K2Mg10 cuboctahedra; edges with four equivalent Mg(2)Ca2Mg10 cuboctahedra; faces with two equivalent K(1)Ca2Mg10 cuboctahedra; faces with two equivalent Ca(1)K2Mg10 cuboctahedra; faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(4)K2Mg10 cuboctahedra; and faces with four Mg(3,3)K2Ca2Mg8 cuboctahedra. In the fifth Mg site, Mg(3) is bonded to two equivalent K(1), two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted MgK2Ca2Mg8 cuboctahedra that share corners with four equivalent K(1)Ca2Mg10 cuboctahedra; corners with four equivalent Mg(4)K2Mg10 cuboctahedra; corners with ten Mg(3,3,3)K2Ca2Mg8 cuboctahedra; edges with two equivalent K(1)Ca2Mg10 cuboctahedra; edges with two equivalent Mg(3)K2Ca2Mg8 cuboctahedra; edges with two equivalent Mg(4)K2Mg10 cuboctahedra; edges with four equivalent Ca(1)K2Mg10 cuboctahedra; edges with four equivalent Mg(2)Ca2Mg10 cuboctahedra; faces with two equivalent K(1)Ca2Mg10 cuboctahedra; faces with two equivalent Ca(1)K2Mg10 cuboctahedra; faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(4)K2Mg10 cuboctahedra; and faces with four Mg(3,3)K2Ca2Mg8 cuboctahedra. In the sixth Mg site, Mg(4) is bonded to two equivalent K(1); two equivalent Mg(2); four Mg(1,1); and four Mg(3,3,3,3) atoms to form distorted MgK2Mg10 cuboctahedra that share corners with four equivalent K(1)Ca2Mg10 cuboctahedra; corners with six equivalent Mg(4)K2Mg10 cuboctahedra; corners with eight Mg(3,3,3,3)K2Ca2Mg8 cuboctahedra; edges with two equivalent K(1)Ca2Mg10 cuboctahedra; edges with four equivalent Mg(2)Ca2Mg10 cuboctahedra; edges with four Mg(3,3,3,3)K2Ca2Mg8 cuboctahedra; faces with two equivalent K(1)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(4)K2Mg10 cuboctahedra; faces with four Mg(3,3,3,3)K2Ca2Mg8 cuboctahedra; and faces with six equivalent Ca(1)K2Mg10 cuboctahedra. In the seventh Mg site, Mg(1) is bonded in a 12-coordinate geometry to two equivalent K(1), two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms. In the eighth Mg site, Mg(3) is bonded to two equivalent K(1), two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted MgK2Ca2Mg8 cuboctahedra that share corners with four equivalent K(1)Ca2Mg10 cuboctahedra; corners with four equivalent Mg(4)K2Mg10 cuboctahedra; corners with ten Mg(3,3,3)K2Ca2Mg8 cuboctahedra; edges with two equivalent K(1)Ca2Mg10 cuboctahedra; edges with two equivalent Mg(3)K2Ca2Mg8 cuboctahedra; edges with two equivalent Mg(4)K2Mg10 cuboctahedra; edges with four equivalent Ca(1)K2Mg10 cuboctahedra; edges with four equivalent Mg(2)Ca2Mg10 cuboctahedra; faces with two equivalent K(1)Ca2Mg10 cuboctahedra; faces with two equivalent Ca(1)K2Mg10 cuboctahedra; faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(4)K2Mg10 cuboctahedra; and faces with four Mg(3,3)K2Ca2Mg8 cuboctahedra. In the ninth Mg site, Mg(3) is bonded to two equivalent K(1), two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted MgK2Ca2Mg8 cuboctahedra that share corners with four equivalent K(1)Ca2Mg10 cuboctahedra; corners with four equivalent Mg(4)K2Mg10 cuboctahedra; corners with ten Mg(3,3,3)K2Ca2Mg8 cuboctahedra; edges with two equivalent K(1)Ca2Mg10 cuboctahedra; edges with two equivalent Mg(3)K2Ca2Mg8 cuboctahedra; edges with two equivalent Mg(4)K2Mg10 cuboctahedra; edges with four equivalent Ca(1)K2Mg10 cuboctahedra; edges with four equivalent Mg(2)Ca2Mg10 cuboctahedra; faces with two equivalent K(1)Ca2Mg10 cuboctahedra; faces with two equivalent Ca(1)K2Mg10 cuboctahedra; faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(4)K2Mg10 cuboctahedra; and faces with four Mg(3,3)K2Ca2Mg8 cuboctahedra. is represented by the CIF card [CIF]
data_KCaMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.501
_cell_length_b   6.886
_cell_length_c   6.947
_cell_angle_alpha   119.713
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.541
_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
  Ca  Ca0  1  0.000  0.840  0.680  1.0
  K  K1  1  0.500  0.662  0.324  1.0
  Mg  Mg2  1  1.000  0.838  0.162  1.0
  Mg  Mg3  1  0.000  0.323  0.162  1.0
  Mg  Mg4  1  0.000  0.334  0.667  1.0
  Mg  Mg5  1  0.500  0.666  0.836  1.0
  Mg  Mg6  1  0.500  0.170  0.836  1.0
  Mg  Mg7  1  0.500  0.167  0.334  1.0
[/CIF]
.
The compound described by KCaMg6 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded to two equivalent Ca(1); two equivalent Mg(4); four Mg(1,1); and four Mg(3,3,3,3) atoms to form KCa2Mg10 cuboctahedra that share corners with four equivalent Mg(4)K2Mg10 cuboctahedra; corners with six equivalent K(1)Ca2Mg10 cuboctahedra; corners with eight Mg(3,3,3,3)K2Ca2Mg8 cuboctahedra; edges with two equivalent Mg(4)K2Mg10 cuboctahedra; edges with four equivalent Ca(1)K2Mg10 cuboctahedra; edges with four Mg(3,3,3,3)K2Ca2Mg8 cuboctahedra; faces with two equivalent K(1)Ca2Mg10 cuboctahedra; faces with two equivalent Ca(1)K2Mg10 cuboctahedra; faces with two equivalent Mg(4)K2Mg10 cuboctahedra; faces with four Mg(3,3,3,3)K2Ca2Mg8 cuboctahedra; and faces with six equivalent Mg(2)Ca2Mg10 cuboctahedra. Ca(1) is bonded to two equivalent K(1); two equivalent Mg(2); four Mg(1,1,1); and four Mg(3,3) atoms to form CaK2Mg10 cuboctahedra that share corners with four equivalent Mg(2)Ca2Mg10 cuboctahedra; corners with six equivalent Ca(1)K2Mg10 cuboctahedra; edges with two equivalent Mg(2)Ca2Mg10 cuboctahedra; edges with four equivalent K(1)Ca2Mg10 cuboctahedra; edges with eight Mg(3,3,3,3)K2Ca2Mg8 cuboctahedra; faces with two equivalent K(1)Ca2Mg10 cuboctahedra; faces with two equivalent Ca(1)K2Mg10 cuboctahedra; faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra; faces with four Mg(3,3)K2Ca2Mg8 cuboctahedra; and faces with six equivalent Mg(4)K2Mg10 cuboctahedra. There are nine inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to two equivalent K(1), two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms. In the second Mg site, Mg(1) is bonded in a 12-coordinate geometry to two equivalent K(1), two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms. In the third Mg site, Mg(2) is bonded to two equivalent Ca(1); two equivalent Mg(4); four Mg(1,1,1); and four Mg(3,3) atoms to form distorted MgCa2Mg10 cuboctahedra that share corners with four equivalent Ca(1)K2Mg10 cuboctahedra; corners with six equivalent Mg(2)Ca2Mg10 cuboctahedra; edges with two equivalent Ca(1)K2Mg10 cuboctahedra; edges with four equivalent Mg(4)K2Mg10 cuboctahedra; edges with eight Mg(3,3,3,3)K2Ca2Mg8 cuboctahedra; faces with two equivalent Ca(1)K2Mg10 cuboctahedra; faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(4)K2Mg10 cuboctahedra; faces with four Mg(3,3)K2Ca2Mg8 cuboctahedra; and faces with six equivalent K(1)Ca2Mg10 cuboctahedra. In the fourth Mg site, Mg(3) is bonded to two equivalent K(1), two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted MgK2Ca2Mg8 cuboctahedra that share corners with four equivalent K(1)Ca2Mg10 cuboctahedra; corners with four equivalent Mg(4)K2Mg10 cuboctahedra; corners with ten Mg(3,3,3)K2Ca2Mg8 cuboctahedra; edges with two equivalent K(1)Ca2Mg10 cuboctahedra; edges with two equivalent Mg(3)K2Ca2Mg8 cuboctahedra; edges with two equivalent Mg(4)K2Mg10 cuboctahedra; edges with four equivalent Ca(1)K2Mg10 cuboctahedra; edges with four equivalent Mg(2)Ca2Mg10 cuboctahedra; faces with two equivalent K(1)Ca2Mg10 cuboctahedra; faces with two equivalent Ca(1)K2Mg10 cuboctahedra; faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(4)K2Mg10 cuboctahedra; and faces with four Mg(3,3)K2Ca2Mg8 cuboctahedra. In the fifth Mg site, Mg(3) is bonded to two equivalent K(1), two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted MgK2Ca2Mg8 cuboctahedra that share corners with four equivalent K(1)Ca2Mg10 cuboctahedra; corners with four equivalent Mg(4)K2Mg10 cuboctahedra; corners with ten Mg(3,3,3)K2Ca2Mg8 cuboctahedra; edges with two equivalent K(1)Ca2Mg10 cuboctahedra; edges with two equivalent Mg(3)K2Ca2Mg8 cuboctahedra; edges with two equivalent Mg(4)K2Mg10 cuboctahedra; edges with four equivalent Ca(1)K2Mg10 cuboctahedra; edges with four equivalent Mg(2)Ca2Mg10 cuboctahedra; faces with two equivalent K(1)Ca2Mg10 cuboctahedra; faces with two equivalent Ca(1)K2Mg10 cuboctahedra; faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(4)K2Mg10 cuboctahedra; and faces with four Mg(3,3)K2Ca2Mg8 cuboctahedra. In the sixth Mg site, Mg(4) is bonded to two equivalent K(1); two equivalent Mg(2); four Mg(1,1); and four Mg(3,3,3,3) atoms to form distorted MgK2Mg10 cuboctahedra that share corners with four equivalent K(1)Ca2Mg10 cuboctahedra; corners with six equivalent Mg(4)K2Mg10 cuboctahedra; corners with eight Mg(3,3,3,3)K2Ca2Mg8 cuboctahedra; edges with two equivalent K(1)Ca2Mg10 cuboctahedra; edges with four equivalent Mg(2)Ca2Mg10 cuboctahedra; edges with four Mg(3,3,3,3)K2Ca2Mg8 cuboctahedra; faces with two equivalent K(1)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(4)K2Mg10 cuboctahedra; faces with four Mg(3,3,3,3)K2Ca2Mg8 cuboctahedra; and faces with six equivalent Ca(1)K2Mg10 cuboctahedra. In the seventh Mg site, Mg(1) is bonded in a 12-coordinate geometry to two equivalent K(1), two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms. In the eighth Mg site, Mg(3) is bonded to two equivalent K(1), two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted MgK2Ca2Mg8 cuboctahedra that share corners with four equivalent K(1)Ca2Mg10 cuboctahedra; corners with four equivalent Mg(4)K2Mg10 cuboctahedra; corners with ten Mg(3,3,3)K2Ca2Mg8 cuboctahedra; edges with two equivalent K(1)Ca2Mg10 cuboctahedra; edges with two equivalent Mg(3)K2Ca2Mg8 cuboctahedra; edges with two equivalent Mg(4)K2Mg10 cuboctahedra; edges with four equivalent Ca(1)K2Mg10 cuboctahedra; edges with four equivalent Mg(2)Ca2Mg10 cuboctahedra; faces with two equivalent K(1)Ca2Mg10 cuboctahedra; faces with two equivalent Ca(1)K2Mg10 cuboctahedra; faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(4)K2Mg10 cuboctahedra; and faces with four Mg(3,3)K2Ca2Mg8 cuboctahedra. In the ninth Mg site, Mg(3) is bonded to two equivalent K(1), two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted MgK2Ca2Mg8 cuboctahedra that share corners with four equivalent K(1)Ca2Mg10 cuboctahedra; corners with four equivalent Mg(4)K2Mg10 cuboctahedra; corners with ten Mg(3,3,3)K2Ca2Mg8 cuboctahedra; edges with two equivalent K(1)Ca2Mg10 cuboctahedra; edges with two equivalent Mg(3)K2Ca2Mg8 cuboctahedra; edges with two equivalent Mg(4)K2Mg10 cuboctahedra; edges with four equivalent Ca(1)K2Mg10 cuboctahedra; edges with four equivalent Mg(2)Ca2Mg10 cuboctahedra; faces with two equivalent K(1)Ca2Mg10 cuboctahedra; faces with two equivalent Ca(1)K2Mg10 cuboctahedra; faces with two equivalent Mg(2)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(4)K2Mg10 cuboctahedra; and faces with four Mg(3,3)K2Ca2Mg8 cuboctahedra. is represented by the CIF card [CIF]
data_KCaMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.501
_cell_length_b   6.886
_cell_length_c   6.947
_cell_angle_alpha   119.713
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.541
_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
  Ca  Ca0  1  0.000  0.840  0.680  1.0
  K  K1  1  0.500  0.662  0.324  1.0
  Mg  Mg2  1  1.000  0.838  0.162  1.0
  Mg  Mg3  1  0.000  0.323  0.162  1.0
  Mg  Mg4  1  0.000  0.334  0.667  1.0
  Mg  Mg5  1  0.500  0.666  0.836  1.0
  Mg  Mg6  1  0.500  0.170  0.836  1.0
  Mg  Mg7  1  0.500  0.167  0.334  1.0
[/CIF]
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