The material described by Ba2MgY2(Fe2O5)2 crystallizes in the orthorhombic Pmm2 space group. Ba(1) is bonded in a 6-coordinate geometry to one O(4), one O(6), two equivalent O(2), and two equivalent O(7) atoms. Mg(1) is bonded in a distorted square co-planar geometry to one O(3), one O(6), and two equivalent O(8) atoms. Y(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(7), two equivalent O(1), and two equivalent O(5) atoms to form distorted corner-sharing FeO5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded in a distorted see-saw-like geometry to two equivalent O(2) and two equivalent O(6) atoms. In the third Fe site, Fe(3) is bonded to one O(7), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing FeO5 square pyramids. In the fourth Fe site, Fe(4) is bonded to one O(8), two equivalent O(1), and two equivalent O(3) atoms to form corner-sharing FeO5 square pyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to two equivalent Y(1), one Fe(1), and one Fe(4) atom. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Y(1), one Fe(2), and one Fe(3) atom to form distorted OBa2Y2Fe2 octahedra that share corners with two equivalent O(2)Ba2Y2Fe2 octahedra, corners with two equivalent O(7)Ba4Fe2 octahedra, corners with two equivalent O(3)Y2MgFe2 trigonal bipyramids, edges with two equivalent O(2)Ba2Y2Fe2 octahedra, and  a faceface with one O(7)Ba4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 3-46°. In the third O site, O(3) is bonded to one Mg(1), two equivalent Y(1), and two equivalent Fe(4) atoms to form distorted OY2MgFe2 trigonal bipyramids that share corners with four equivalent O(2)Ba2Y2Fe2 octahedra and corners with two equivalent O(3)Y2MgFe2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 87°. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Fe(3) atoms. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to two equivalent Y(1) and two equivalent Fe(1) atoms. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Mg(1), and two equivalent Fe(2) atoms. In the seventh O site, O(7) is bonded to four equivalent Ba(1), one Fe(1), and one Fe(3) atom to form OBa4Fe2 octahedra that share corners with four equivalent O(2)Ba2Y2Fe2 octahedra, edges with two equivalent O(7)Ba4Fe2 octahedra, and faces with two equivalent O(2)Ba2Y2Fe2 octahedra. The corner-sharing octahedral tilt angles are 46°. In the eighth O site, O(8) is bonded in a T-shaped geometry to two equivalent Mg(1) and one Fe(4) atom. is represented by the CIF card [CIF]
data_Ba2Y2Mg(Fe2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.869
_cell_length_b   8.215
_cell_length_c   8.699
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   276.458
_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  0.077  0.453  1.0
  Ba  Ba1  1  0.000  0.077  0.047  1.0
  Y  Y2  1  0.000  0.539  0.028  1.0
  Y  Y3  1  0.000  0.539  0.472  1.0
  Mg  Mg4  1  0.000  0.905  0.750  1.0
  Fe  Fe5  1  0.500  0.751  0.250  1.0
  Fe  Fe6  1  0.500  0.260  0.750  1.0
  Fe  Fe7  1  0.500  0.322  0.250  1.0
  Fe  Fe8  1  0.500  0.660  0.750  1.0
  O  O9  1  0.500  0.682  0.489  1.0
  O  O10  1  0.500  0.329  0.509  1.0
  O  O11  1  0.500  0.682  0.011  1.0
  O  O12  1  0.500  0.329  0.991  1.0
  O  O13  1  0.000  0.622  0.750  1.0
  O  O14  1  0.000  0.358  0.250  1.0
  O  O15  1  0.000  0.700  0.250  1.0
  O  O16  1  0.000  0.165  0.750  1.0
  O  O17  1  0.500  0.041  0.250  1.0
  O  O18  1  0.500  0.913  0.750  1.0
[/CIF]
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The material described by Ba2MgY2(Fe2O5)2 crystallizes in the orthorhombic Pmm2 space group. Ba(1) is bonded in a 6-coordinate geometry to one O(4), one O(6), two equivalent O(2), and two equivalent O(7) atoms. Mg(1) is bonded in a distorted square co-planar geometry to one O(3), one O(6), and two equivalent O(8) atoms. Y(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(7), two equivalent O(1), and two equivalent O(5) atoms to form distorted corner-sharing FeO5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded in a distorted see-saw-like geometry to two equivalent O(2) and two equivalent O(6) atoms. In the third Fe site, Fe(3) is bonded to one O(7), two equivalent O(2), and two equivalent O(4) atoms to form corner-sharing FeO5 square pyramids. In the fourth Fe site, Fe(4) is bonded to one O(8), two equivalent O(1), and two equivalent O(3) atoms to form corner-sharing FeO5 square pyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to two equivalent Y(1), one Fe(1), and one Fe(4) atom. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Y(1), one Fe(2), and one Fe(3) atom to form distorted OBa2Y2Fe2 octahedra that share corners with two equivalent O(2)Ba2Y2Fe2 octahedra, corners with two equivalent O(7)Ba4Fe2 octahedra, corners with two equivalent O(3)Y2MgFe2 trigonal bipyramids, edges with two equivalent O(2)Ba2Y2Fe2 octahedra, and  a faceface with one O(7)Ba4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 3-46°. In the third O site, O(3) is bonded to one Mg(1), two equivalent Y(1), and two equivalent Fe(4) atoms to form distorted OY2MgFe2 trigonal bipyramids that share corners with four equivalent O(2)Ba2Y2Fe2 octahedra and corners with two equivalent O(3)Y2MgFe2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 87°. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Fe(3) atoms. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to two equivalent Y(1) and two equivalent Fe(1) atoms. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Mg(1), and two equivalent Fe(2) atoms. In the seventh O site, O(7) is bonded to four equivalent Ba(1), one Fe(1), and one Fe(3) atom to form OBa4Fe2 octahedra that share corners with four equivalent O(2)Ba2Y2Fe2 octahedra, edges with two equivalent O(7)Ba4Fe2 octahedra, and faces with two equivalent O(2)Ba2Y2Fe2 octahedra. The corner-sharing octahedral tilt angles are 46°. In the eighth O site, O(8) is bonded in a T-shaped geometry to two equivalent Mg(1) and one Fe(4) atom. is represented by the CIF card [CIF]
data_Ba2Y2Mg(Fe2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.869
_cell_length_b   8.215
_cell_length_c   8.699
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   276.458
_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  0.077  0.453  1.0
  Ba  Ba1  1  0.000  0.077  0.047  1.0
  Y  Y2  1  0.000  0.539  0.028  1.0
  Y  Y3  1  0.000  0.539  0.472  1.0
  Mg  Mg4  1  0.000  0.905  0.750  1.0
  Fe  Fe5  1  0.500  0.751  0.250  1.0
  Fe  Fe6  1  0.500  0.260  0.750  1.0
  Fe  Fe7  1  0.500  0.322  0.250  1.0
  Fe  Fe8  1  0.500  0.660  0.750  1.0
  O  O9  1  0.500  0.682  0.489  1.0
  O  O10  1  0.500  0.329  0.509  1.0
  O  O11  1  0.500  0.682  0.011  1.0
  O  O12  1  0.500  0.329  0.991  1.0
  O  O13  1  0.000  0.622  0.750  1.0
  O  O14  1  0.000  0.358  0.250  1.0
  O  O15  1  0.000  0.700  0.250  1.0
  O  O16  1  0.000  0.165  0.750  1.0
  O  O17  1  0.500  0.041  0.250  1.0
  O  O18  1  0.500  0.913  0.750  1.0
[/CIF]
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