The compound described by Mg6CeFe crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Ce(1), and one Fe(1) atom. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to one Mg(3), one Mg(4), two equivalent Mg(1), two equivalent Mg(2), two equivalent Ce(1), and two equivalent Fe(1) atoms. In the third Mg site, Mg(3) is bonded in a 2-coordinate geometry to two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(1), and two equivalent Fe(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), four equivalent Mg(1), and two equivalent Ce(1) atoms. Ce(1) is bonded in a 2-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Fe(1) atoms. Fe(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), four equivalent Mg(2), and two equivalent Ce(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeMg6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.821
_cell_length_b   6.821
_cell_length_c   5.023
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   130.359
_symmetry_Int_Tables_number   1
_cell_volume   178.075
_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
  Ce  Ce0  1  0.314  0.686  0.500  1.0
  Mg  Mg1  1  0.315  0.184  0.500  1.0
  Mg  Mg2  1  0.816  0.685  0.500  1.0
  Mg  Mg3  1  0.168  0.322  0.000  1.0
  Mg  Mg4  1  0.678  0.832  0.000  1.0
  Mg  Mg5  1  0.709  0.291  0.000  1.0
  Mg  Mg6  1  0.155  0.845  0.000  1.0
  Fe  Fe7  1  0.844  0.156  0.500  1.0
[/CIF]
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The compound described by Mg6CeFe crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Ce(1), and one Fe(1) atom. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to one Mg(3), one Mg(4), two equivalent Mg(1), two equivalent Mg(2), two equivalent Ce(1), and two equivalent Fe(1) atoms. In the third Mg site, Mg(3) is bonded in a 2-coordinate geometry to two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(1), and two equivalent Fe(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), four equivalent Mg(1), and two equivalent Ce(1) atoms. Ce(1) is bonded in a 2-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Fe(1) atoms. Fe(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), four equivalent Mg(2), and two equivalent Ce(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeMg6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.821
_cell_length_b   6.821
_cell_length_c   5.023
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   130.359
_symmetry_Int_Tables_number   1
_cell_volume   178.075
_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
  Ce  Ce0  1  0.314  0.686  0.500  1.0
  Mg  Mg1  1  0.315  0.184  0.500  1.0
  Mg  Mg2  1  0.816  0.685  0.500  1.0
  Mg  Mg3  1  0.168  0.322  0.000  1.0
  Mg  Mg4  1  0.678  0.832  0.000  1.0
  Mg  Mg5  1  0.709  0.291  0.000  1.0
  Mg  Mg6  1  0.155  0.845  0.000  1.0
  Fe  Fe7  1  0.844  0.156  0.500  1.0
[/CIF]
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