The crystal structure described by BaMgZn(FeO2)4 crystallizes in the monoclinic C2 space group. Ba(1) is bonded in a 1-coordinate geometry to one O(5) atom. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with three equivalent Zn(1)O6 octahedra, and faces with two equivalent Fe(2)O4 trigonal pyramids. There are two 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(4) atom to form FeO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra,  a cornercorner with one Fe(1)O4 tetrahedra, and corners with three equivalent Fe(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 51-60°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form distorted FeO4 trigonal pyramids that share corners with three equivalent Zn(1)O6 octahedra, corners with three equivalent Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 trigonal pyramid, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, corners with six equivalent Fe(2)O4 trigonal pyramids, and edges with three equivalent Mg(1)O6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), one Fe(2), and one Zn(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Zn(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), one Fe(2), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Fe(1) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1) and two equivalent Fe(2) atoms. is represented by the CIF card [CIF]
data_BaMgZn(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.377
_cell_length_b   5.260
_cell_length_c   8.219
_cell_angle_alpha   89.504
_cell_angle_beta   90.970
_cell_angle_gamma   120.735
_symmetry_Int_Tables_number   1
_cell_volume   199.784
_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  0.990  0.980  1.000  1.0
  Mg  Mg1  1  0.673  0.347  0.500  1.0
  Zn  Zn2  1  0.998  0.996  0.500  1.0
  Fe  Fe3  1  0.321  0.674  0.746  1.0
  Fe  Fe4  1  0.608  0.286  0.793  1.0
  Fe  Fe5  1  0.353  0.674  0.254  1.0
  Fe  Fe6  1  0.678  0.286  0.207  1.0
  O  O7  1  0.319  0.322  0.666  1.0
  O  O8  1  0.661  0.004  0.656  1.0
  O  O9  1  0.974  0.649  0.663  1.0
  O  O10  1  0.675  0.649  0.337  1.0
  O  O11  1  0.003  0.322  0.334  1.0
  O  O12  1  0.343  0.004  0.344  1.0
  O  O13  1  0.355  0.710  0.000  1.0
  O  O14  1  0.712  0.424  0.000  1.0
[/CIF]
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The crystal structure described by BaMgZn(FeO2)4 crystallizes in the monoclinic C2 space group. Ba(1) is bonded in a 1-coordinate geometry to one O(5) atom. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with three equivalent Zn(1)O6 octahedra, and faces with two equivalent Fe(2)O4 trigonal pyramids. There are two 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(4) atom to form FeO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra,  a cornercorner with one Fe(1)O4 tetrahedra, and corners with three equivalent Fe(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 51-60°. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form distorted FeO4 trigonal pyramids that share corners with three equivalent Zn(1)O6 octahedra, corners with three equivalent Fe(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 trigonal pyramid, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, corners with six equivalent Fe(2)O4 trigonal pyramids, and edges with three equivalent Mg(1)O6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), one Fe(2), and one Zn(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Fe(1), one Fe(2), and one Zn(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), one Fe(2), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Fe(1) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1) and two equivalent Fe(2) atoms. is represented by the CIF card [CIF]
data_BaMgZn(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.377
_cell_length_b   5.260
_cell_length_c   8.219
_cell_angle_alpha   89.504
_cell_angle_beta   90.970
_cell_angle_gamma   120.735
_symmetry_Int_Tables_number   1
_cell_volume   199.784
_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  0.990  0.980  1.000  1.0
  Mg  Mg1  1  0.673  0.347  0.500  1.0
  Zn  Zn2  1  0.998  0.996  0.500  1.0
  Fe  Fe3  1  0.321  0.674  0.746  1.0
  Fe  Fe4  1  0.608  0.286  0.793  1.0
  Fe  Fe5  1  0.353  0.674  0.254  1.0
  Fe  Fe6  1  0.678  0.286  0.207  1.0
  O  O7  1  0.319  0.322  0.666  1.0
  O  O8  1  0.661  0.004  0.656  1.0
  O  O9  1  0.974  0.649  0.663  1.0
  O  O10  1  0.675  0.649  0.337  1.0
  O  O11  1  0.003  0.322  0.334  1.0
  O  O12  1  0.343  0.004  0.344  1.0
  O  O13  1  0.355  0.710  0.000  1.0
  O  O14  1  0.712  0.424  0.000  1.0
[/CIF]
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