The material described by CsNaMg14 crystallizes in the hexagonal P-6m2 space group. Cs(1) is bonded to six equivalent Mg(2) and six Mg(3,3) atoms to form CsMg12 cuboctahedra that share corners with six equivalent Cs(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(1)Na2Mg10 cuboctahedra, edges with six equivalent Mg(2)Cs2Mg10 cuboctahedra, faces with two equivalent Na(1)Mg12 cuboctahedra, faces with six equivalent Mg(2)Cs2Mg10 cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra. Na(1) is bonded to six equivalent Mg(1) and six Mg(3,3) atoms to form NaMg12 cuboctahedra that share corners with six equivalent Na(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(2)Cs2Mg10 cuboctahedra, edges with six equivalent Mg(1)Na2Mg10 cuboctahedra, faces with two equivalent Cs(1)Mg12 cuboctahedra, faces with six equivalent Mg(4)Mg12 cuboctahedra, and faces with six equivalent Mg(1)Na2Mg10 cuboctahedra. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Na(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted MgNa2Mg10 cuboctahedra that share corners with four equivalent Cs(1)Mg12 cuboctahedra, corners with six equivalent Mg(1)Na2Mg10 cuboctahedra, corners with eight equivalent Mg(2)Cs2Mg10 cuboctahedra, edges with two equivalent Na(1)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(1)Na2Mg10 cuboctahedra, faces with two equivalent Na(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Cs2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with four equivalent Mg(1)Na2Mg10 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Cs(1), two equivalent Mg(4), four equivalent Mg(2), and four equivalent Mg(3) atoms to form distorted MgCs2Mg10 cuboctahedra that share corners with four equivalent Na(1)Mg12 cuboctahedra, corners with six equivalent Mg(2)Cs2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Na2Mg10 cuboctahedra, edges with two equivalent Cs(1)Mg12 cuboctahedra, edges with four equivalent Mg(2)Cs2Mg10 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Cs(1)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(1)Na2Mg10 cuboctahedra, and faces with four equivalent Mg(2)Cs2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to one Cs(1); one Na(1); two equivalent Mg(1); two equivalent Mg(2); two equivalent Mg(4); and four Mg(3,3) atoms. In the fourth Mg site, Mg(3) is bonded in a 12-coordinate geometry to one Cs(1), one Na(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the fifth Mg site, Mg(4) is bonded to three equivalent Mg(1); three equivalent Mg(2); and six Mg(3,3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra, edges with six equivalent Mg(2)Cs2Mg10 cuboctahedra, edges with six equivalent Mg(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent Cs(1)Mg12 cuboctahedra, faces with three equivalent Na(1)Mg12 cuboctahedra, faces with three equivalent Mg(2)Cs2Mg10 cuboctahedra, and faces with three equivalent Mg(1)Na2Mg10 cuboctahedra. is represented by the CIF card [CIF]
data_CsNaMg14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.693
_cell_length_b   6.693
_cell_length_c   10.835
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   420.274
_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
  Cs  Cs0  1  0.167  0.333  0.625  1.0
  Na  Na1  1  0.167  0.333  0.125  1.0
  Mg  Mg2  1  0.170  0.835  0.125  1.0
  Mg  Mg3  1  0.170  0.835  0.625  1.0
  Mg  Mg4  1  0.665  0.330  0.125  1.0
  Mg  Mg5  1  0.665  0.330  0.625  1.0
  Mg  Mg6  1  0.665  0.835  0.125  1.0
  Mg  Mg7  1  0.665  0.835  0.625  1.0
  Mg  Mg8  1  0.342  0.158  0.360  1.0
  Mg  Mg9  1  0.342  0.158  0.890  1.0
  Mg  Mg10  1  0.342  0.685  0.360  1.0
  Mg  Mg11  1  0.342  0.685  0.890  1.0
  Mg  Mg12  1  0.815  0.158  0.360  1.0
  Mg  Mg13  1  0.815  0.158  0.890  1.0
  Mg  Mg14  1  0.833  0.667  0.379  1.0
  Mg  Mg15  1  0.833  0.667  0.871  1.0
[/CIF]
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The material described by CsNaMg14 crystallizes in the hexagonal P-6m2 space group. Cs(1) is bonded to six equivalent Mg(2) and six Mg(3,3) atoms to form CsMg12 cuboctahedra that share corners with six equivalent Cs(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(1)Na2Mg10 cuboctahedra, edges with six equivalent Mg(2)Cs2Mg10 cuboctahedra, faces with two equivalent Na(1)Mg12 cuboctahedra, faces with six equivalent Mg(2)Cs2Mg10 cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra. Na(1) is bonded to six equivalent Mg(1) and six Mg(3,3) atoms to form NaMg12 cuboctahedra that share corners with six equivalent Na(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(2)Cs2Mg10 cuboctahedra, edges with six equivalent Mg(1)Na2Mg10 cuboctahedra, faces with two equivalent Cs(1)Mg12 cuboctahedra, faces with six equivalent Mg(4)Mg12 cuboctahedra, and faces with six equivalent Mg(1)Na2Mg10 cuboctahedra. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Na(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted MgNa2Mg10 cuboctahedra that share corners with four equivalent Cs(1)Mg12 cuboctahedra, corners with six equivalent Mg(1)Na2Mg10 cuboctahedra, corners with eight equivalent Mg(2)Cs2Mg10 cuboctahedra, edges with two equivalent Na(1)Mg12 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with four equivalent Mg(1)Na2Mg10 cuboctahedra, faces with two equivalent Na(1)Mg12 cuboctahedra, faces with two equivalent Mg(2)Cs2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with four equivalent Mg(1)Na2Mg10 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Cs(1), two equivalent Mg(4), four equivalent Mg(2), and four equivalent Mg(3) atoms to form distorted MgCs2Mg10 cuboctahedra that share corners with four equivalent Na(1)Mg12 cuboctahedra, corners with six equivalent Mg(2)Cs2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Na2Mg10 cuboctahedra, edges with two equivalent Cs(1)Mg12 cuboctahedra, edges with four equivalent Mg(2)Cs2Mg10 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Cs(1)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(1)Na2Mg10 cuboctahedra, and faces with four equivalent Mg(2)Cs2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to one Cs(1); one Na(1); two equivalent Mg(1); two equivalent Mg(2); two equivalent Mg(4); and four Mg(3,3) atoms. In the fourth Mg site, Mg(3) is bonded in a 12-coordinate geometry to one Cs(1), one Na(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the fifth Mg site, Mg(4) is bonded to three equivalent Mg(1); three equivalent Mg(2); and six Mg(3,3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra, edges with six equivalent Mg(2)Cs2Mg10 cuboctahedra, edges with six equivalent Mg(1)Na2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent Cs(1)Mg12 cuboctahedra, faces with three equivalent Na(1)Mg12 cuboctahedra, faces with three equivalent Mg(2)Cs2Mg10 cuboctahedra, and faces with three equivalent Mg(1)Na2Mg10 cuboctahedra. is represented by the CIF card [CIF]
data_CsNaMg14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.693
_cell_length_b   6.693
_cell_length_c   10.835
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   420.274
_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
  Cs  Cs0  1  0.167  0.333  0.625  1.0
  Na  Na1  1  0.167  0.333  0.125  1.0
  Mg  Mg2  1  0.170  0.835  0.125  1.0
  Mg  Mg3  1  0.170  0.835  0.625  1.0
  Mg  Mg4  1  0.665  0.330  0.125  1.0
  Mg  Mg5  1  0.665  0.330  0.625  1.0
  Mg  Mg6  1  0.665  0.835  0.125  1.0
  Mg  Mg7  1  0.665  0.835  0.625  1.0
  Mg  Mg8  1  0.342  0.158  0.360  1.0
  Mg  Mg9  1  0.342  0.158  0.890  1.0
  Mg  Mg10  1  0.342  0.685  0.360  1.0
  Mg  Mg11  1  0.342  0.685  0.890  1.0
  Mg  Mg12  1  0.815  0.158  0.360  1.0
  Mg  Mg13  1  0.815  0.158  0.890  1.0
  Mg  Mg14  1  0.833  0.667  0.379  1.0
  Mg  Mg15  1  0.833  0.667  0.871  1.0
[/CIF]
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