The material described by BaMg6Ce crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ce(1) atoms to form BaCe2Mg10 cuboctahedra that share corners with four equivalent Ce(1)Ba2Mg10 cuboctahedra, corners with six equivalent Ba(1)Ce2Mg10 cuboctahedra, edges with two equivalent Ce(1)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)Ce2Mg10 cuboctahedra, and faces with two equivalent Ce(1)Ba2Mg10 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Ce(1) atoms. In the second Mg site, Mg(2) is bonded in a 9-coordinate geometry to two equivalent Ba(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(1), and two equivalent Ce(1) atoms. In the third Mg site, Mg(3) is bonded in a 8-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), and two equivalent Ce(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. Ce(1) is bonded to two equivalent Ba(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form CeBa2Mg10 cuboctahedra that share corners with four equivalent Ba(1)Ce2Mg10 cuboctahedra, corners with six equivalent Ce(1)Ba2Mg10 cuboctahedra, edges with two equivalent Ba(1)Ce2Mg10 cuboctahedra, faces with two equivalent Ba(1)Ce2Mg10 cuboctahedra, and faces with two equivalent Ce(1)Ba2Mg10 cuboctahedra. is represented by the CIF card [CIF]
data_BaCeMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.402
_cell_length_b   6.957
_cell_length_c   6.957
_cell_angle_alpha   119.095
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.462
_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  0.666  0.334  1.0
  Ce  Ce1  1  0.500  0.161  0.839  1.0
  Mg  Mg2  1  0.500  0.664  0.829  1.0
  Mg  Mg3  1  0.500  0.171  0.336  1.0
  Mg  Mg4  1  0.000  0.839  0.693  1.0
  Mg  Mg5  1  0.000  0.307  0.161  1.0
  Mg  Mg6  1  0.000  0.340  0.660  1.0
  Mg  Mg7  1  0.000  0.853  0.147  1.0
[/CIF]
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The material described by BaMg6Ce crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ce(1) atoms to form BaCe2Mg10 cuboctahedra that share corners with four equivalent Ce(1)Ba2Mg10 cuboctahedra, corners with six equivalent Ba(1)Ce2Mg10 cuboctahedra, edges with two equivalent Ce(1)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)Ce2Mg10 cuboctahedra, and faces with two equivalent Ce(1)Ba2Mg10 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Ce(1) atoms. In the second Mg site, Mg(2) is bonded in a 9-coordinate geometry to two equivalent Ba(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(1), and two equivalent Ce(1) atoms. In the third Mg site, Mg(3) is bonded in a 8-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), and two equivalent Ce(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. Ce(1) is bonded to two equivalent Ba(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form CeBa2Mg10 cuboctahedra that share corners with four equivalent Ba(1)Ce2Mg10 cuboctahedra, corners with six equivalent Ce(1)Ba2Mg10 cuboctahedra, edges with two equivalent Ba(1)Ce2Mg10 cuboctahedra, faces with two equivalent Ba(1)Ce2Mg10 cuboctahedra, and faces with two equivalent Ce(1)Ba2Mg10 cuboctahedra. is represented by the CIF card [CIF]
data_BaCeMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.402
_cell_length_b   6.957
_cell_length_c   6.957
_cell_angle_alpha   119.095
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.462
_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  0.666  0.334  1.0
  Ce  Ce1  1  0.500  0.161  0.839  1.0
  Mg  Mg2  1  0.500  0.664  0.829  1.0
  Mg  Mg3  1  0.500  0.171  0.336  1.0
  Mg  Mg4  1  0.000  0.839  0.693  1.0
  Mg  Mg5  1  0.000  0.307  0.161  1.0
  Mg  Mg6  1  0.000  0.340  0.660  1.0
  Mg  Mg7  1  0.000  0.853  0.147  1.0
[/CIF]
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