The compound described by CsCaMg14 crystallizes in the hexagonal P-6m2 space group. Cs(1) is bonded to six equivalent Mg(2) and six equivalent Mg(3) atoms to form CsMg12 cuboctahedra that share corners with six equivalent Cs(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(1)Ca2Mg10 cuboctahedra, edges with six equivalent Mg(2)Cs2Mg10 cuboctahedra, faces with two equivalent Ca(1)Mg12 cuboctahedra, faces with six equivalent Mg(2)Cs2Mg10 cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra. Ca(1) is bonded to six equivalent Mg(1) and six equivalent Mg(3) atoms to form CaMg12 cuboctahedra that share corners with six equivalent Ca(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(2)Cs2Mg10 cuboctahedra, edges with six equivalent Mg(1)Ca2Mg10 cuboctahedra, faces with two equivalent Cs(1)Mg12 cuboctahedra, faces with six equivalent Mg(1)Ca2Mg10 cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra. There are four inequivalent Mg sites. In the first 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 Cs(1)Mg12 cuboctahedra, corners with six equivalent Mg(1)Ca2Mg10 cuboctahedra, corners with eight equivalent Mg(2)Cs2Mg10 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)Cs2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with four equivalent Mg(1)Ca2Mg10 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 Ca(1)Mg12 cuboctahedra, corners with six equivalent Mg(2)Cs2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Ca2Mg10 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(1)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with four equivalent Mg(2)Cs2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to one Cs(1), one Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms. In the fourth Mg site, Mg(4) is bonded to three equivalent Mg(1), three equivalent Mg(2), and six equivalent Mg(3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra, edges with six equivalent Mg(1)Ca2Mg10 cuboctahedra, edges with six equivalent Mg(2)Cs2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent Cs(1)Mg12 cuboctahedra, faces with three equivalent Ca(1)Mg12 cuboctahedra, faces with three equivalent Mg(1)Ca2Mg10 cuboctahedra, and faces with three equivalent Mg(2)Cs2Mg10 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsCaMg14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.816
_cell_length_b   6.816
_cell_length_c   10.704
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   430.656
_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
  Ca  Ca1  1  0.167  0.333  0.125  1.0
  Mg  Mg2  1  0.173  0.837  0.125  1.0
  Mg  Mg3  1  0.173  0.836  0.625  1.0
  Mg  Mg4  1  0.663  0.327  0.125  1.0
  Mg  Mg5  1  0.664  0.327  0.625  1.0
  Mg  Mg6  1  0.663  0.837  0.125  1.0
  Mg  Mg7  1  0.664  0.836  0.625  1.0
  Mg  Mg8  1  0.344  0.156  0.365  1.0
  Mg  Mg9  1  0.344  0.156  0.885  1.0
  Mg  Mg10  1  0.344  0.688  0.365  1.0
  Mg  Mg11  1  0.344  0.688  0.885  1.0
  Mg  Mg12  1  0.812  0.156  0.365  1.0
  Mg  Mg13  1  0.812  0.156  0.885  1.0
  Mg  Mg14  1  0.833  0.667  0.376  1.0
  Mg  Mg15  1  0.833  0.667  0.874  1.0
[/CIF]
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The compound described by CsCaMg14 crystallizes in the hexagonal P-6m2 space group. Cs(1) is bonded to six equivalent Mg(2) and six equivalent Mg(3) atoms to form CsMg12 cuboctahedra that share corners with six equivalent Cs(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(1)Ca2Mg10 cuboctahedra, edges with six equivalent Mg(2)Cs2Mg10 cuboctahedra, faces with two equivalent Ca(1)Mg12 cuboctahedra, faces with six equivalent Mg(2)Cs2Mg10 cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra. Ca(1) is bonded to six equivalent Mg(1) and six equivalent Mg(3) atoms to form CaMg12 cuboctahedra that share corners with six equivalent Ca(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(2)Cs2Mg10 cuboctahedra, edges with six equivalent Mg(1)Ca2Mg10 cuboctahedra, faces with two equivalent Cs(1)Mg12 cuboctahedra, faces with six equivalent Mg(1)Ca2Mg10 cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra. There are four inequivalent Mg sites. In the first 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 Cs(1)Mg12 cuboctahedra, corners with six equivalent Mg(1)Ca2Mg10 cuboctahedra, corners with eight equivalent Mg(2)Cs2Mg10 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)Cs2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with four equivalent Mg(1)Ca2Mg10 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 Ca(1)Mg12 cuboctahedra, corners with six equivalent Mg(2)Cs2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Ca2Mg10 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(1)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, and faces with four equivalent Mg(2)Cs2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to one Cs(1), one Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms. In the fourth Mg site, Mg(4) is bonded to three equivalent Mg(1), three equivalent Mg(2), and six equivalent Mg(3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra, edges with six equivalent Mg(1)Ca2Mg10 cuboctahedra, edges with six equivalent Mg(2)Cs2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent Cs(1)Mg12 cuboctahedra, faces with three equivalent Ca(1)Mg12 cuboctahedra, faces with three equivalent Mg(1)Ca2Mg10 cuboctahedra, and faces with three equivalent Mg(2)Cs2Mg10 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsCaMg14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.816
_cell_length_b   6.816
_cell_length_c   10.704
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   430.656
_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
  Ca  Ca1  1  0.167  0.333  0.125  1.0
  Mg  Mg2  1  0.173  0.837  0.125  1.0
  Mg  Mg3  1  0.173  0.836  0.625  1.0
  Mg  Mg4  1  0.663  0.327  0.125  1.0
  Mg  Mg5  1  0.664  0.327  0.625  1.0
  Mg  Mg6  1  0.663  0.837  0.125  1.0
  Mg  Mg7  1  0.664  0.836  0.625  1.0
  Mg  Mg8  1  0.344  0.156  0.365  1.0
  Mg  Mg9  1  0.344  0.156  0.885  1.0
  Mg  Mg10  1  0.344  0.688  0.365  1.0
  Mg  Mg11  1  0.344  0.688  0.885  1.0
  Mg  Mg12  1  0.812  0.156  0.365  1.0
  Mg  Mg13  1  0.812  0.156  0.885  1.0
  Mg  Mg14  1  0.833  0.667  0.376  1.0
  Mg  Mg15  1  0.833  0.667  0.874  1.0
[/CIF]
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