The crystal structure described by Ba2Mg(FeO2)4 crystallizes in the trigonal P321 space group. Ba(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. Mg(1) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3) and three equivalent O(1) atoms to form corner-sharing FeO4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(3) and three equivalent O(2) atoms to form corner-sharing FeO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1) and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing OBa2Fe2 trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Fe(2) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to one Fe(1) and one Fe(2) atom. is represented by the CIF file [CIF]
data_Ba2Mg(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.510
_cell_length_b   5.510
_cell_length_c   10.463
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   275.124
_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  0.000  0.000  0.681  1.0
  Ba  Ba1  1  0.000  0.000  0.319  1.0
  Mg  Mg2  1  0.000  0.000  0.000  1.0
  Fe  Fe3  1  0.333  0.667  0.443  1.0
  Fe  Fe4  1  0.667  0.333  0.927  1.0
  Fe  Fe5  1  0.667  0.333  0.557  1.0
  Fe  Fe6  1  0.333  0.667  0.073  1.0
  O  O7  1  0.675  0.000  0.500  1.0
  O  O8  1  0.659  0.659  0.000  1.0
  O  O9  1  0.000  0.341  0.000  1.0
  O  O10  1  0.000  0.675  0.500  1.0
  O  O11  1  0.325  0.325  0.500  1.0
  O  O12  1  0.341  0.000  0.000  1.0
  O  O13  1  0.333  0.667  0.258  1.0
  O  O14  1  0.667  0.333  0.742  1.0
[/CIF]
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The crystal structure described by Ba2Mg(FeO2)4 crystallizes in the trigonal P321 space group. Ba(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. Mg(1) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3) and three equivalent O(1) atoms to form corner-sharing FeO4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(3) and three equivalent O(2) atoms to form corner-sharing FeO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1) and two equivalent Fe(1) atoms to form a mixture of distorted edge and corner-sharing OBa2Fe2 trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Fe(2) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to one Fe(1) and one Fe(2) atom. is represented by the CIF file [CIF]
data_Ba2Mg(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.510
_cell_length_b   5.510
_cell_length_c   10.463
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   275.124
_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  0.000  0.000  0.681  1.0
  Ba  Ba1  1  0.000  0.000  0.319  1.0
  Mg  Mg2  1  0.000  0.000  0.000  1.0
  Fe  Fe3  1  0.333  0.667  0.443  1.0
  Fe  Fe4  1  0.667  0.333  0.927  1.0
  Fe  Fe5  1  0.667  0.333  0.557  1.0
  Fe  Fe6  1  0.333  0.667  0.073  1.0
  O  O7  1  0.675  0.000  0.500  1.0
  O  O8  1  0.659  0.659  0.000  1.0
  O  O9  1  0.000  0.341  0.000  1.0
  O  O10  1  0.000  0.675  0.500  1.0
  O  O11  1  0.325  0.325  0.500  1.0
  O  O12  1  0.341  0.000  0.000  1.0
  O  O13  1  0.333  0.667  0.258  1.0
  O  O14  1  0.667  0.333  0.742  1.0
[/CIF]
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