The structure described by BaCaMg6 crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form BaCa2Mg10 cuboctahedra that share corners with four equivalent Ca(1)Ba2Mg10 cuboctahedra, corners with six equivalent Ba(1)Ca2Mg10 cuboctahedra, edges with two equivalent Ca(1)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)Ca2Mg10 cuboctahedra, and faces with two equivalent Ca(1)Ba2Mg10 cuboctahedra. Ca(1) is bonded to two equivalent Ba(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form CaBa2Mg10 cuboctahedra that share corners with four equivalent Ba(1)Ca2Mg10 cuboctahedra, corners with six equivalent Ca(1)Ba2Mg10 cuboctahedra, edges with two equivalent Ba(1)Ca2Mg10 cuboctahedra, faces with two equivalent Ba(1)Ca2Mg10 cuboctahedra, and faces with two equivalent Ca(1)Ba2Mg10 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Ca(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms. In the second Mg site, Mg(2) is bonded in a 9-coordinate geometry to two equivalent Ba(1), two equivalent Ca(1), one Mg(2), one Mg(3), one Mg(4), and two equivalent Mg(1) atoms. In the third Mg site, Mg(3) is bonded in a 8-coordinate geometry to two equivalent Ca(1), two equivalent Mg(2), and four equivalent Mg(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 8-coordinate geometry to two equivalent Ba(1), two equivalent Mg(2), and four equivalent Mg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaCaMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.441
_cell_length_b   7.092
_cell_length_c   7.092
_cell_angle_alpha   118.675
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   240.094
_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  0.665  0.335  1.0
  Ca  Ca1  1  0.500  0.164  0.836  1.0
  Mg  Mg2  1  0.500  0.672  0.834  1.0
  Mg  Mg3  1  0.500  0.166  0.328  1.0
  Mg  Mg4  1  1.000  0.833  0.693  1.0
  Mg  Mg5  1  1.000  0.307  0.167  1.0
  Mg  Mg6  1  0.000  0.343  0.657  1.0
  Mg  Mg7  1  0.000  0.850  0.150  1.0
[/CIF]
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The structure described by BaCaMg6 crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form BaCa2Mg10 cuboctahedra that share corners with four equivalent Ca(1)Ba2Mg10 cuboctahedra, corners with six equivalent Ba(1)Ca2Mg10 cuboctahedra, edges with two equivalent Ca(1)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)Ca2Mg10 cuboctahedra, and faces with two equivalent Ca(1)Ba2Mg10 cuboctahedra. Ca(1) is bonded to two equivalent Ba(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form CaBa2Mg10 cuboctahedra that share corners with four equivalent Ba(1)Ca2Mg10 cuboctahedra, corners with six equivalent Ca(1)Ba2Mg10 cuboctahedra, edges with two equivalent Ba(1)Ca2Mg10 cuboctahedra, faces with two equivalent Ba(1)Ca2Mg10 cuboctahedra, and faces with two equivalent Ca(1)Ba2Mg10 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Ca(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms. In the second Mg site, Mg(2) is bonded in a 9-coordinate geometry to two equivalent Ba(1), two equivalent Ca(1), one Mg(2), one Mg(3), one Mg(4), and two equivalent Mg(1) atoms. In the third Mg site, Mg(3) is bonded in a 8-coordinate geometry to two equivalent Ca(1), two equivalent Mg(2), and four equivalent Mg(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 8-coordinate geometry to two equivalent Ba(1), two equivalent Mg(2), and four equivalent Mg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaCaMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.441
_cell_length_b   7.092
_cell_length_c   7.092
_cell_angle_alpha   118.675
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   240.094
_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  0.665  0.335  1.0
  Ca  Ca1  1  0.500  0.164  0.836  1.0
  Mg  Mg2  1  0.500  0.672  0.834  1.0
  Mg  Mg3  1  0.500  0.166  0.328  1.0
  Mg  Mg4  1  1.000  0.833  0.693  1.0
  Mg  Mg5  1  1.000  0.307  0.167  1.0
  Mg  Mg6  1  0.000  0.343  0.657  1.0
  Mg  Mg7  1  0.000  0.850  0.150  1.0
[/CIF]
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