The crystal structure described by BaMg(FeO2)4 crystallizes in the triclinic P1 space group. Ba(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), three equivalent O(7), and three equivalent O(8) atoms to form BaO12 cuboctahedra that share edges with six equivalent Ba(1)O12 cuboctahedra, edges with three equivalent Fe(1)O4 tetrahedra, edges with three equivalent Fe(2)O4 tetrahedra, edges with three equivalent Fe(3)O4 tetrahedra, and edges with three equivalent Fe(4)O4 tetrahedra. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(3)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), and one O(8) atom to form distorted FeO4 tetrahedra that share  a cornercorner with one Fe(4)O4 tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. In the third Fe site, Fe(3) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra, corners with three equivalent Fe(4)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. In the fourth Fe site, Fe(4) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form distorted FeO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra, corners with three equivalent Fe(3)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), one Fe(3), and one Fe(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), one Fe(3), and one Fe(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), one Fe(3), and one Fe(4) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to three equivalent Ba(1), one Fe(1), and one Fe(3) atom. In the eighth O site, O(8) is bonded in a linear geometry to three equivalent Ba(1), one Fe(2), and one Fe(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaMg(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.507
_cell_length_b   5.508
_cell_length_c   8.559
_cell_angle_alpha   89.934
_cell_angle_beta   89.750
_cell_angle_gamma   119.954
_symmetry_Int_Tables_number   1
_cell_volume   224.947
_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  1.000  0.001  0.000  1.0
  Mg  Mg1  1  0.668  0.329  0.500  1.0
  Fe  Fe2  1  0.334  0.668  0.762  1.0
  Fe  Fe3  1  0.667  0.334  0.790  1.0
  Fe  Fe4  1  0.332  0.667  0.238  1.0
  Fe  Fe5  1  0.666  0.334  0.210  1.0
  O  O6  1  0.384  0.370  0.689  1.0
  O  O7  1  0.630  0.017  0.687  1.0
  O  O8  1  0.986  0.616  0.689  1.0
  O  O9  1  0.630  0.617  0.311  1.0
  O  O10  1  0.984  0.370  0.313  1.0
  O  O11  1  0.384  0.015  0.312  1.0
  O  O12  1  0.333  0.666  0.000  1.0
  O  O13  1  0.668  0.330  1.000  1.0
[/CIF]
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The crystal structure described by BaMg(FeO2)4 crystallizes in the triclinic P1 space group. Ba(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), three equivalent O(7), and three equivalent O(8) atoms to form BaO12 cuboctahedra that share edges with six equivalent Ba(1)O12 cuboctahedra, edges with three equivalent Fe(1)O4 tetrahedra, edges with three equivalent Fe(2)O4 tetrahedra, edges with three equivalent Fe(3)O4 tetrahedra, and edges with three equivalent Fe(4)O4 tetrahedra. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(3)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), and one O(8) atom to form distorted FeO4 tetrahedra that share  a cornercorner with one Fe(4)O4 tetrahedra, corners with three equivalent Fe(1)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. In the third Fe site, Fe(3) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form FeO4 tetrahedra that share  a cornercorner with one Fe(1)O4 tetrahedra, corners with three equivalent Fe(4)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. In the fourth Fe site, Fe(4) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form distorted FeO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra, corners with three equivalent Fe(3)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), one Fe(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), one Fe(3), and one Fe(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), one Fe(3), and one Fe(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), one Fe(3), and one Fe(4) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to three equivalent Ba(1), one Fe(1), and one Fe(3) atom. In the eighth O site, O(8) is bonded in a linear geometry to three equivalent Ba(1), one Fe(2), and one Fe(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaMg(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.507
_cell_length_b   5.508
_cell_length_c   8.559
_cell_angle_alpha   89.934
_cell_angle_beta   89.750
_cell_angle_gamma   119.954
_symmetry_Int_Tables_number   1
_cell_volume   224.947
_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  1.000  0.001  0.000  1.0
  Mg  Mg1  1  0.668  0.329  0.500  1.0
  Fe  Fe2  1  0.334  0.668  0.762  1.0
  Fe  Fe3  1  0.667  0.334  0.790  1.0
  Fe  Fe4  1  0.332  0.667  0.238  1.0
  Fe  Fe5  1  0.666  0.334  0.210  1.0
  O  O6  1  0.384  0.370  0.689  1.0
  O  O7  1  0.630  0.017  0.687  1.0
  O  O8  1  0.986  0.616  0.689  1.0
  O  O9  1  0.630  0.617  0.311  1.0
  O  O10  1  0.984  0.370  0.313  1.0
  O  O11  1  0.384  0.015  0.312  1.0
  O  O12  1  0.333  0.666  0.000  1.0
  O  O13  1  0.668  0.330  1.000  1.0
[/CIF]
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