The crystal structure described by KCaMg14 crystallizes in the hexagonal P-6m2 space group. K(1) is bonded to six Mg(2,2) and six Mg(3,3) atoms to form KMg12 cuboctahedra that share corners with six equivalent K(1)Mg12 cuboctahedra; corners with twelve Mg(1,1)Ca2Mg10 cuboctahedra; edges with six Mg(2,2)K2Mg10 cuboctahedra; faces with two equivalent Ca(1)Mg12 cuboctahedra; faces with six Mg(2,2)K2Mg10 cuboctahedra; and faces with six equivalent Mg(4)Mg12 cuboctahedra. Ca(1) is bonded to six Mg(1,1) and six Mg(3,3) atoms to form CaMg12 cuboctahedra that share corners with six equivalent Ca(1)Mg12 cuboctahedra; corners with twelve Mg(2,2)K2Mg10 cuboctahedra; edges with six Mg(1,1)Ca2Mg10 cuboctahedra; faces with two equivalent K(1)Mg12 cuboctahedra; faces with six Mg(1,1)Ca2Mg10 cuboctahedra; and faces with six equivalent Mg(4)Mg12 cuboctahedra. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Ca(1); two equivalent Mg(4); four Mg(1,1); and four Mg(3,3) atoms to form distorted MgCa2Mg10 cuboctahedra that share corners with four equivalent K(1)Mg12 cuboctahedra; corners with six equivalent Mg(1)Ca2Mg10 cuboctahedra; corners with eight Mg(2,2)K2Mg10 cuboctahedra; edges with two equivalent Ca(1)Mg12 cuboctahedra; edges with four Mg(1,1)Ca2Mg10 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Ca(1)Mg12 cuboctahedra; faces with two equivalent Mg(2)K2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; and faces with four Mg(1,1)Ca2Mg10 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent K(1); two equivalent Mg(4); four Mg(2,2); and four Mg(3,3) atoms to form distorted MgK2Mg10 cuboctahedra that share corners with four equivalent Ca(1)Mg12 cuboctahedra; corners with six equivalent Mg(2)K2Mg10 cuboctahedra; corners with eight Mg(1,1)Ca2Mg10 cuboctahedra; edges with two equivalent K(1)Mg12 cuboctahedra; edges with four Mg(2,2)K2Mg10 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent K(1)Mg12 cuboctahedra; faces with two equivalent Mg(1)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; and faces with four Mg(2,2)K2Mg10 cuboctahedra. In the third Mg site, Mg(1) is bonded to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted MgCa2Mg10 cuboctahedra that share corners with four equivalent K(1)Mg12 cuboctahedra, corners with six equivalent Mg(1)Ca2Mg10 cuboctahedra, corners with eight equivalent Mg(2)K2Mg10 cuboctahedra, edges with two equivalent Ca(1)Mg12 cuboctahedra, edges with four equivalent Mg(1)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Ca(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)K2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with four equivalent Mg(1)Ca2Mg10 cuboctahedra. In the fourth Mg site, Mg(2) is bonded to two equivalent K(1), two equivalent Mg(4), four equivalent Mg(2), and four equivalent Mg(3) atoms to form distorted MgK2Mg10 cuboctahedra that share corners with four equivalent Ca(1)Mg12 cuboctahedra, corners with six equivalent Mg(2)K2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Ca2Mg10 cuboctahedra, edges with two equivalent K(1)Mg12 cuboctahedra, edges with four equivalent Mg(2)K2Mg10 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent K(1)Mg12 cuboctahedra, faces with two equivalent Mg(1)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with four equivalent Mg(2)K2Mg10 cuboctahedra. In the fifth Mg site, Mg(3) is bonded in a 12-coordinate geometry to one K(1); one Ca(1); two Mg(1,1); two Mg(2,2); two equivalent Mg(4); and four Mg(3,3) atoms. In the sixth Mg site, Mg(3) is bonded in a 12-coordinate geometry to one K(1), one Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the seventh Mg site, Mg(4) is bonded to three Mg(1,1); three Mg(2,2); and six Mg(3,3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra; edges with six Mg(1,1)Ca2Mg10 cuboctahedra; edges with six Mg(2,2)K2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with three equivalent K(1)Mg12 cuboctahedra; faces with three equivalent Ca(1)Mg12 cuboctahedra; faces with three Mg(1,1)Ca2Mg10 cuboctahedra; and faces with three Mg(2,2)K2Mg10 cuboctahedra. is represented by the CIF file [CIF]
data_KCaMg14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.716
_cell_length_b   6.716
_cell_length_c   10.549
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   412.068
_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  0.167  0.333  0.625  1.0
  Ca  Ca1  1  0.167  0.333  0.125  1.0
  Mg  Mg2  1  0.172  0.836  0.125  1.0
  Mg  Mg3  1  0.170  0.835  0.625  1.0
  Mg  Mg4  1  0.664  0.328  0.125  1.0
  Mg  Mg5  1  0.665  0.330  0.625  1.0
  Mg  Mg6  1  0.664  0.836  0.125  1.0
  Mg  Mg7  1  0.665  0.835  0.625  1.0
  Mg  Mg8  1  0.340  0.160  0.371  1.0
  Mg  Mg9  1  0.340  0.160  0.879  1.0
  Mg  Mg10  1  0.340  0.680  0.371  1.0
  Mg  Mg11  1  0.340  0.680  0.879  1.0
  Mg  Mg12  1  0.820  0.160  0.371  1.0
  Mg  Mg13  1  0.820  0.160  0.879  1.0
  Mg  Mg14  1  0.833  0.667  0.375  1.0
  Mg  Mg15  1  0.833  0.667  0.875  1.0
[/CIF]
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The crystal structure described by KCaMg14 crystallizes in the hexagonal P-6m2 space group. K(1) is bonded to six Mg(2,2) and six Mg(3,3) atoms to form KMg12 cuboctahedra that share corners with six equivalent K(1)Mg12 cuboctahedra; corners with twelve Mg(1,1)Ca2Mg10 cuboctahedra; edges with six Mg(2,2)K2Mg10 cuboctahedra; faces with two equivalent Ca(1)Mg12 cuboctahedra; faces with six Mg(2,2)K2Mg10 cuboctahedra; and faces with six equivalent Mg(4)Mg12 cuboctahedra. Ca(1) is bonded to six Mg(1,1) and six Mg(3,3) atoms to form CaMg12 cuboctahedra that share corners with six equivalent Ca(1)Mg12 cuboctahedra; corners with twelve Mg(2,2)K2Mg10 cuboctahedra; edges with six Mg(1,1)Ca2Mg10 cuboctahedra; faces with two equivalent K(1)Mg12 cuboctahedra; faces with six Mg(1,1)Ca2Mg10 cuboctahedra; and faces with six equivalent Mg(4)Mg12 cuboctahedra. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Ca(1); two equivalent Mg(4); four Mg(1,1); and four Mg(3,3) atoms to form distorted MgCa2Mg10 cuboctahedra that share corners with four equivalent K(1)Mg12 cuboctahedra; corners with six equivalent Mg(1)Ca2Mg10 cuboctahedra; corners with eight Mg(2,2)K2Mg10 cuboctahedra; edges with two equivalent Ca(1)Mg12 cuboctahedra; edges with four Mg(1,1)Ca2Mg10 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Ca(1)Mg12 cuboctahedra; faces with two equivalent Mg(2)K2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; and faces with four Mg(1,1)Ca2Mg10 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent K(1); two equivalent Mg(4); four Mg(2,2); and four Mg(3,3) atoms to form distorted MgK2Mg10 cuboctahedra that share corners with four equivalent Ca(1)Mg12 cuboctahedra; corners with six equivalent Mg(2)K2Mg10 cuboctahedra; corners with eight Mg(1,1)Ca2Mg10 cuboctahedra; edges with two equivalent K(1)Mg12 cuboctahedra; edges with four Mg(2,2)K2Mg10 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent K(1)Mg12 cuboctahedra; faces with two equivalent Mg(1)Ca2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; and faces with four Mg(2,2)K2Mg10 cuboctahedra. In the third Mg site, Mg(1) is bonded to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted MgCa2Mg10 cuboctahedra that share corners with four equivalent K(1)Mg12 cuboctahedra, corners with six equivalent Mg(1)Ca2Mg10 cuboctahedra, corners with eight equivalent Mg(2)K2Mg10 cuboctahedra, edges with two equivalent Ca(1)Mg12 cuboctahedra, edges with four equivalent Mg(1)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Ca(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)K2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with four equivalent Mg(1)Ca2Mg10 cuboctahedra. In the fourth Mg site, Mg(2) is bonded to two equivalent K(1), two equivalent Mg(4), four equivalent Mg(2), and four equivalent Mg(3) atoms to form distorted MgK2Mg10 cuboctahedra that share corners with four equivalent Ca(1)Mg12 cuboctahedra, corners with six equivalent Mg(2)K2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Ca2Mg10 cuboctahedra, edges with two equivalent K(1)Mg12 cuboctahedra, edges with four equivalent Mg(2)K2Mg10 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent K(1)Mg12 cuboctahedra, faces with two equivalent Mg(1)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with four equivalent Mg(2)K2Mg10 cuboctahedra. In the fifth Mg site, Mg(3) is bonded in a 12-coordinate geometry to one K(1); one Ca(1); two Mg(1,1); two Mg(2,2); two equivalent Mg(4); and four Mg(3,3) atoms. In the sixth Mg site, Mg(3) is bonded in a 12-coordinate geometry to one K(1), one Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the seventh Mg site, Mg(4) is bonded to three Mg(1,1); three Mg(2,2); and six Mg(3,3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra; edges with six Mg(1,1)Ca2Mg10 cuboctahedra; edges with six Mg(2,2)K2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with three equivalent K(1)Mg12 cuboctahedra; faces with three equivalent Ca(1)Mg12 cuboctahedra; faces with three Mg(1,1)Ca2Mg10 cuboctahedra; and faces with three Mg(2,2)K2Mg10 cuboctahedra. is represented by the CIF file [CIF]
data_KCaMg14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.716
_cell_length_b   6.716
_cell_length_c   10.549
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   412.068
_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  0.167  0.333  0.625  1.0
  Ca  Ca1  1  0.167  0.333  0.125  1.0
  Mg  Mg2  1  0.172  0.836  0.125  1.0
  Mg  Mg3  1  0.170  0.835  0.625  1.0
  Mg  Mg4  1  0.664  0.328  0.125  1.0
  Mg  Mg5  1  0.665  0.330  0.625  1.0
  Mg  Mg6  1  0.664  0.836  0.125  1.0
  Mg  Mg7  1  0.665  0.835  0.625  1.0
  Mg  Mg8  1  0.340  0.160  0.371  1.0
  Mg  Mg9  1  0.340  0.160  0.879  1.0
  Mg  Mg10  1  0.340  0.680  0.371  1.0
  Mg  Mg11  1  0.340  0.680  0.879  1.0
  Mg  Mg12  1  0.820  0.160  0.371  1.0
  Mg  Mg13  1  0.820  0.160  0.879  1.0
  Mg  Mg14  1  0.833  0.667  0.375  1.0
  Mg  Mg15  1  0.833  0.667  0.875  1.0
[/CIF]
.