The material structure described by CsBaMg14 crystallizes in the hexagonal P-6m2 space group. Cs(1) is bonded to six equivalent Mg(1) and six equivalent Mg(3) atoms to form CsMg12 cuboctahedra that share corners with six equivalent Cs(1)Mg12 cuboctahedra and faces with two equivalent Ba(1)Mg12 cuboctahedra. Ba(1) is bonded to six equivalent Mg(2) and six equivalent Mg(3) atoms to form BaMg12 cuboctahedra that share corners with six equivalent Ba(1)Mg12 cuboctahedra and faces with two equivalent Cs(1)Mg12 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to two equivalent Cs(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a 8-coordinate geometry to one Cs(1), one Ba(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 in a 12-coordinate geometry to three equivalent Mg(1), three equivalent Mg(2), and six equivalent Mg(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsBaMg14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.058
_cell_length_b   7.058
_cell_length_c   10.532
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   454.358
_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  0.125  1.0
  Ba  Ba1  1  0.167  0.333  0.625  1.0
  Mg  Mg2  1  0.173  0.837  0.125  1.0
  Mg  Mg3  1  0.178  0.839  0.625  1.0
  Mg  Mg4  1  0.663  0.327  0.125  1.0
  Mg  Mg5  1  0.661  0.322  0.625  1.0
  Mg  Mg6  1  0.663  0.837  0.125  1.0
  Mg  Mg7  1  0.661  0.839  0.625  1.0
  Mg  Mg8  1  0.353  0.147  0.379  1.0
  Mg  Mg9  1  0.353  0.147  0.871  1.0
  Mg  Mg10  1  0.353  0.706  0.379  1.0
  Mg  Mg11  1  0.353  0.706  0.871  1.0
  Mg  Mg12  1  0.794  0.147  0.379  1.0
  Mg  Mg13  1  0.794  0.147  0.871  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 material structure described by CsBaMg14 crystallizes in the hexagonal P-6m2 space group. Cs(1) is bonded to six equivalent Mg(1) and six equivalent Mg(3) atoms to form CsMg12 cuboctahedra that share corners with six equivalent Cs(1)Mg12 cuboctahedra and faces with two equivalent Ba(1)Mg12 cuboctahedra. Ba(1) is bonded to six equivalent Mg(2) and six equivalent Mg(3) atoms to form BaMg12 cuboctahedra that share corners with six equivalent Ba(1)Mg12 cuboctahedra and faces with two equivalent Cs(1)Mg12 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to two equivalent Cs(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a 8-coordinate geometry to one Cs(1), one Ba(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 in a 12-coordinate geometry to three equivalent Mg(1), three equivalent Mg(2), and six equivalent Mg(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsBaMg14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.058
_cell_length_b   7.058
_cell_length_c   10.532
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   454.358
_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  0.125  1.0
  Ba  Ba1  1  0.167  0.333  0.625  1.0
  Mg  Mg2  1  0.173  0.837  0.125  1.0
  Mg  Mg3  1  0.178  0.839  0.625  1.0
  Mg  Mg4  1  0.663  0.327  0.125  1.0
  Mg  Mg5  1  0.661  0.322  0.625  1.0
  Mg  Mg6  1  0.663  0.837  0.125  1.0
  Mg  Mg7  1  0.661  0.839  0.625  1.0
  Mg  Mg8  1  0.353  0.147  0.379  1.0
  Mg  Mg9  1  0.353  0.147  0.871  1.0
  Mg  Mg10  1  0.353  0.706  0.379  1.0
  Mg  Mg11  1  0.353  0.706  0.871  1.0
  Mg  Mg12  1  0.794  0.147  0.379  1.0
  Mg  Mg13  1  0.794  0.147  0.871  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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