The material structure described by MgY2(FeO3)2 is Aluminum carbonitride-derived structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded to two equivalent O(5) and three equivalent O(1) atoms to form distorted MgO5 square pyramids that share corners with four equivalent Mg(1)O5 square pyramids, corners with four equivalent Fe(2)O4 tetrahedra, edges with two equivalent Mg(1)O5 square pyramids, and  an edgeedge with one Fe(2)O4 tetrahedra. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(6), three equivalent O(1), and three equivalent O(3) atoms. In the second Y site, Y(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form distorted YO6 octahedra that share corners with three equivalent Fe(2)O4 tetrahedra, corners with three equivalent Fe(1)O5 trigonal bipyramids, and edges with six equivalent Y(2)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), and three equivalent O(6) atoms to form FeO5 trigonal bipyramids that share corners with three equivalent Y(2)O6 octahedra and corners with six equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 66°. In the second Fe site, Fe(2) is bonded to one O(4) and three equivalent O(5) atoms to form distorted FeO4 tetrahedra that share corners with three equivalent Y(2)O6 octahedra, corners with four equivalent Mg(1)O5 square pyramids, corners with six equivalent Fe(2)O4 tetrahedra, and  an edgeedge with one Mg(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 54-69°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to three equivalent Mg(1) and three equivalent Y(1) atoms. In the second O site, O(2) is bonded to three equivalent Y(2) and one Fe(1) atom to form OY3Fe tetrahedra that share  a cornercorner with one O(3)Y3Fe tetrahedra, corners with six equivalent O(2)Y3Fe tetrahedra, and corners with three equivalent O(6)YFe3 trigonal pyramids. In the third O site, O(3) is bonded to three equivalent Y(1) and one Fe(1) atom to form OY3Fe tetrahedra that share  a cornercorner with one O(2)Y3Fe tetrahedra, corners with six equivalent O(3)Y3Fe tetrahedra, and edges with three equivalent O(6)YFe3 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Y(2) and one Fe(2) atom. In the fifth O site, O(5) is bonded to two equivalent Mg(1) and three equivalent Fe(2) atoms to form a mixture of distorted edge and corner-sharing OMg2Fe3 square pyramids. In the sixth O site, O(6) is bonded to one Y(1) and three equivalent Fe(1) atoms to form distorted OYFe3 trigonal pyramids that share corners with three equivalent O(2)Y3Fe tetrahedra, corners with six equivalent O(6)YFe3 trigonal pyramids, and edges with three equivalent O(3)Y3Fe tetrahedra. is represented by the CIF file [CIF]
data_Y2Mg(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.585
_cell_length_b   3.585
_cell_length_c   13.834
_cell_angle_alpha   88.120
_cell_angle_beta   91.880
_cell_angle_gamma   122.718
_symmetry_Int_Tables_number   1
_cell_volume   149.501
_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
  Y  Y0  1  0.973  0.027  0.558  1.0
  Y  Y1  1  0.015  0.985  0.975  1.0
  Mg  Mg2  1  0.635  0.365  0.367  1.0
  Fe  Fe3  1  0.669  0.331  0.755  1.0
  Fe  Fe4  1  0.324  0.676  0.201  1.0
  O  O5  1  0.329  0.671  0.430  1.0
  O  O6  1  0.683  0.317  0.910  1.0
  O  O7  1  0.652  0.348  0.590  1.0
  O  O8  1  0.359  0.641  0.064  1.0
  O  O9  1  0.037  0.963  0.266  1.0
  O  O10  1  0.983  0.017  0.730  1.0
[/CIF]
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The material structure described by MgY2(FeO3)2 is Aluminum carbonitride-derived structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded to two equivalent O(5) and three equivalent O(1) atoms to form distorted MgO5 square pyramids that share corners with four equivalent Mg(1)O5 square pyramids, corners with four equivalent Fe(2)O4 tetrahedra, edges with two equivalent Mg(1)O5 square pyramids, and  an edgeedge with one Fe(2)O4 tetrahedra. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(6), three equivalent O(1), and three equivalent O(3) atoms. In the second Y site, Y(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form distorted YO6 octahedra that share corners with three equivalent Fe(2)O4 tetrahedra, corners with three equivalent Fe(1)O5 trigonal bipyramids, and edges with six equivalent Y(2)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), and three equivalent O(6) atoms to form FeO5 trigonal bipyramids that share corners with three equivalent Y(2)O6 octahedra and corners with six equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 66°. In the second Fe site, Fe(2) is bonded to one O(4) and three equivalent O(5) atoms to form distorted FeO4 tetrahedra that share corners with three equivalent Y(2)O6 octahedra, corners with four equivalent Mg(1)O5 square pyramids, corners with six equivalent Fe(2)O4 tetrahedra, and  an edgeedge with one Mg(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 54-69°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to three equivalent Mg(1) and three equivalent Y(1) atoms. In the second O site, O(2) is bonded to three equivalent Y(2) and one Fe(1) atom to form OY3Fe tetrahedra that share  a cornercorner with one O(3)Y3Fe tetrahedra, corners with six equivalent O(2)Y3Fe tetrahedra, and corners with three equivalent O(6)YFe3 trigonal pyramids. In the third O site, O(3) is bonded to three equivalent Y(1) and one Fe(1) atom to form OY3Fe tetrahedra that share  a cornercorner with one O(2)Y3Fe tetrahedra, corners with six equivalent O(3)Y3Fe tetrahedra, and edges with three equivalent O(6)YFe3 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Y(2) and one Fe(2) atom. In the fifth O site, O(5) is bonded to two equivalent Mg(1) and three equivalent Fe(2) atoms to form a mixture of distorted edge and corner-sharing OMg2Fe3 square pyramids. In the sixth O site, O(6) is bonded to one Y(1) and three equivalent Fe(1) atoms to form distorted OYFe3 trigonal pyramids that share corners with three equivalent O(2)Y3Fe tetrahedra, corners with six equivalent O(6)YFe3 trigonal pyramids, and edges with three equivalent O(3)Y3Fe tetrahedra. is represented by the CIF file [CIF]
data_Y2Mg(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.585
_cell_length_b   3.585
_cell_length_c   13.834
_cell_angle_alpha   88.120
_cell_angle_beta   91.880
_cell_angle_gamma   122.718
_symmetry_Int_Tables_number   1
_cell_volume   149.501
_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
  Y  Y0  1  0.973  0.027  0.558  1.0
  Y  Y1  1  0.015  0.985  0.975  1.0
  Mg  Mg2  1  0.635  0.365  0.367  1.0
  Fe  Fe3  1  0.669  0.331  0.755  1.0
  Fe  Fe4  1  0.324  0.676  0.201  1.0
  O  O5  1  0.329  0.671  0.430  1.0
  O  O6  1  0.683  0.317  0.910  1.0
  O  O7  1  0.652  0.348  0.590  1.0
  O  O8  1  0.359  0.641  0.064  1.0
  O  O9  1  0.037  0.963  0.266  1.0
  O  O10  1  0.983  0.017  0.730  1.0
[/CIF]
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