The compound described by NaBaMg6 crystallizes in the orthorhombic Amm2 space group. Na(1) is bonded to two equivalent Ba(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form NaBa2Mg10 cuboctahedra that share corners with four equivalent Ba(1)Na2Mg10 cuboctahedra, corners with six equivalent Na(1)Ba2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Ba2Na2Mg8 cuboctahedra, edges with two equivalent Ba(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(1)Ba2Na2Mg8 cuboctahedra, faces with two equivalent Na(1)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)Na2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Ba2Na2Mg8 cuboctahedra. Ba(1) is bonded to two equivalent Na(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form BaNa2Mg10 cuboctahedra that share corners with four equivalent Na(1)Ba2Mg10 cuboctahedra, corners with six equivalent Ba(1)Na2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Ba2Na2Mg8 cuboctahedra, edges with two equivalent Na(1)Ba2Mg10 cuboctahedra, edges with four equivalent Mg(1)Ba2Na2Mg8 cuboctahedra, faces with two equivalent Na(1)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)Na2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Ba2Na2Mg8 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Na(1), two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form MgBa2Na2Mg8 cuboctahedra that share corners with four equivalent Na(1)Ba2Mg10 cuboctahedra, corners with four equivalent Ba(1)Na2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Ba2Na2Mg8 cuboctahedra, edges with two equivalent Na(1)Ba2Mg10 cuboctahedra, edges with two equivalent Ba(1)Na2Mg10 cuboctahedra, edges with two equivalent Mg(1)Ba2Na2Mg8 cuboctahedra, faces with two equivalent Na(1)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)Na2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Ba2Na2Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Na(1), two equivalent Ba(1), one Mg(3), one Mg(4), two equivalent Mg(1), and two equivalent Mg(2) atoms. In the third Mg site, Mg(3) is bonded in a distorted water-like geometry to two equivalent Na(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaNaMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.386
_cell_length_b   6.681
_cell_length_c   7.250
_cell_angle_alpha   117.435
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   231.565
_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
  Ba  Ba0  1  0.500  0.678  0.355  1.0
  Mg  Mg1  1  0.500  0.678  0.849  1.0
  Mg  Mg2  1  0.500  0.171  0.849  1.0
  Mg  Mg3  1  1.000  0.820  0.123  1.0
  Mg  Mg4  1  1.000  0.303  0.123  1.0
  Mg  Mg5  1  0.000  0.332  0.665  1.0
  Mg  Mg6  1  0.000  0.849  0.698  1.0
  Na  Na7  1  0.500  0.169  0.337  1.0
[/CIF]
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The compound described by NaBaMg6 crystallizes in the orthorhombic Amm2 space group. Na(1) is bonded to two equivalent Ba(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form NaBa2Mg10 cuboctahedra that share corners with four equivalent Ba(1)Na2Mg10 cuboctahedra, corners with six equivalent Na(1)Ba2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Ba2Na2Mg8 cuboctahedra, edges with two equivalent Ba(1)Na2Mg10 cuboctahedra, edges with four equivalent Mg(1)Ba2Na2Mg8 cuboctahedra, faces with two equivalent Na(1)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)Na2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Ba2Na2Mg8 cuboctahedra. Ba(1) is bonded to two equivalent Na(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form BaNa2Mg10 cuboctahedra that share corners with four equivalent Na(1)Ba2Mg10 cuboctahedra, corners with six equivalent Ba(1)Na2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Ba2Na2Mg8 cuboctahedra, edges with two equivalent Na(1)Ba2Mg10 cuboctahedra, edges with four equivalent Mg(1)Ba2Na2Mg8 cuboctahedra, faces with two equivalent Na(1)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)Na2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Ba2Na2Mg8 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Na(1), two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form MgBa2Na2Mg8 cuboctahedra that share corners with four equivalent Na(1)Ba2Mg10 cuboctahedra, corners with four equivalent Ba(1)Na2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Ba2Na2Mg8 cuboctahedra, edges with two equivalent Na(1)Ba2Mg10 cuboctahedra, edges with two equivalent Ba(1)Na2Mg10 cuboctahedra, edges with two equivalent Mg(1)Ba2Na2Mg8 cuboctahedra, faces with two equivalent Na(1)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)Na2Mg10 cuboctahedra, and faces with four equivalent Mg(1)Ba2Na2Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Na(1), two equivalent Ba(1), one Mg(3), one Mg(4), two equivalent Mg(1), and two equivalent Mg(2) atoms. In the third Mg site, Mg(3) is bonded in a distorted water-like geometry to two equivalent Na(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaNaMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.386
_cell_length_b   6.681
_cell_length_c   7.250
_cell_angle_alpha   117.435
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   231.565
_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
  Ba  Ba0  1  0.500  0.678  0.355  1.0
  Mg  Mg1  1  0.500  0.678  0.849  1.0
  Mg  Mg2  1  0.500  0.171  0.849  1.0
  Mg  Mg3  1  1.000  0.820  0.123  1.0
  Mg  Mg4  1  1.000  0.303  0.123  1.0
  Mg  Mg5  1  0.000  0.332  0.665  1.0
  Mg  Mg6  1  0.000  0.849  0.698  1.0
  Na  Na7  1  0.500  0.169  0.337  1.0
[/CIF]
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