The compound described by Ba4Y2Fe2O11 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(2), one O(4), one O(5), one O(6), one O(7), two equivalent O(8), and three equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(4), one O(6), one O(7), two equivalent O(1), two equivalent O(9), and three equivalent O(2) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form YO6 octahedra that share corners with two equivalent Y(1)O6 octahedra, corners with two equivalent Fe(1)O5 square pyramids, and corners with two equivalent Fe(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 14°. In the second Y site, Y(2) is bonded to one O(6), one O(7), two equivalent O(3), and two equivalent O(8) atoms to form YO6 octahedra that share corners with two equivalent Y(2)O6 octahedra, corners with two equivalent Fe(1)O5 square pyramids, and corners with two equivalent Fe(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 15°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(6), one O(7), one O(9), and two equivalent O(2) atoms to form distorted FeO5 square pyramids that share corners with two equivalent Y(1)O6 octahedra and corners with two equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the second Fe site, Fe(2) is bonded to one O(4), one O(5), and two equivalent O(3) atoms to form distorted FeO4 tetrahedra that share corners with two equivalent Y(1)O6 octahedra and corners with two equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-37°. There are nine inequivalent O sites. In the first O site, O(7) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Y(2), and one Fe(1) atom. In the second O site, O(8) is bonded in a 6-coordinate geometry to four equivalent Ba(1) and two equivalent Y(2) atoms. In the third O site, O(9) is bonded in a distorted single-bond geometry to four equivalent Ba(2) and one Fe(1) atom. In the fourth O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Ba(2) and two equivalent Y(1) atoms. In the fifth O site, O(2) is bonded in a distorted linear geometry to one Ba(1), three equivalent Ba(2), one Y(1), and one Fe(1) atom. In the sixth O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Y(2), and one Fe(2) atom. In the seventh O site, O(4) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Y(1), and one Fe(2) atom. In the eighth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Y(1), and one Fe(2) atom. In the ninth O site, O(6) is bonded in a distorted octahedral geometry to two equivalent Ba(1), two equivalent Ba(2), one Y(2), and one Fe(1) atom. is represented by the CIF card [CIF]
data_Ba4Y2Fe2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.144
_cell_length_b   8.227
_cell_length_c   12.324
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   623.010
_cell_formula_units_Z   2
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  0.727  0.238  0.867  1.0
  Ba  Ba1  1  0.727  0.762  0.867  1.0
  Ba  Ba2  1  0.227  0.762  0.133  1.0
  Ba  Ba3  1  0.227  0.238  0.133  1.0
  Ba  Ba4  1  0.244  0.229  0.607  1.0
  Ba  Ba5  1  0.244  0.771  0.607  1.0
  Ba  Ba6  1  0.744  0.771  0.393  1.0
  Ba  Ba7  1  0.744  0.229  0.393  1.0
  Y  Y8  1  0.743  0.500  0.625  1.0
  Y  Y9  1  0.243  0.500  0.375  1.0
  Y  Y10  1  0.224  0.000  0.874  1.0
  Y  Y11  1  0.724  0.000  0.126  1.0
  Fe  Fe12  1  0.731  0.000  0.638  1.0
  Fe  Fe13  1  0.231  0.000  0.362  1.0
  Fe  Fe14  1  0.221  0.500  0.841  1.0
  Fe  Fe15  1  0.721  0.500  0.159  1.0
  O  O16  1  0.524  0.500  0.485  1.0
  O  O17  1  0.024  0.500  0.515  1.0
  O  O18  1  0.755  0.228  0.628  1.0
  O  O19  1  0.755  0.772  0.628  1.0
  O  O20  1  0.255  0.772  0.372  1.0
  O  O21  1  0.255  0.228  0.372  1.0
  O  O22  1  0.232  0.292  0.896  1.0
  O  O23  1  0.232  0.708  0.896  1.0
  O  O24  1  0.732  0.708  0.104  1.0
  O  O25  1  0.732  0.292  0.104  1.0
  O  O26  1  0.458  0.500  0.751  1.0
  O  O27  1  0.958  0.500  0.249  1.0
  O  O28  1  0.444  0.500  0.214  1.0
  O  O29  1  0.944  0.500  0.786  1.0
  O  O30  1  0.499  0.000  0.755  1.0
  O  O31  1  0.999  0.000  0.245  1.0
  O  O32  1  0.480  0.000  0.264  1.0
  O  O33  1  0.980  0.000  0.736  1.0
  O  O34  1  0.441  0.000  0.015  1.0
  O  O35  1  0.941  0.000  0.985  1.0
  O  O36  1  0.539  0.000  0.519  1.0
  O  O37  1  0.039  0.000  0.481  1.0
[/CIF]
.
The compound described by Ba4Y2Fe2O11 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(2), one O(4), one O(5), one O(6), one O(7), two equivalent O(8), and three equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(4), one O(6), one O(7), two equivalent O(1), two equivalent O(9), and three equivalent O(2) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form YO6 octahedra that share corners with two equivalent Y(1)O6 octahedra, corners with two equivalent Fe(1)O5 square pyramids, and corners with two equivalent Fe(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 14°. In the second Y site, Y(2) is bonded to one O(6), one O(7), two equivalent O(3), and two equivalent O(8) atoms to form YO6 octahedra that share corners with two equivalent Y(2)O6 octahedra, corners with two equivalent Fe(1)O5 square pyramids, and corners with two equivalent Fe(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 15°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(6), one O(7), one O(9), and two equivalent O(2) atoms to form distorted FeO5 square pyramids that share corners with two equivalent Y(1)O6 octahedra and corners with two equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the second Fe site, Fe(2) is bonded to one O(4), one O(5), and two equivalent O(3) atoms to form distorted FeO4 tetrahedra that share corners with two equivalent Y(1)O6 octahedra and corners with two equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-37°. There are nine inequivalent O sites. In the first O site, O(7) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Y(2), and one Fe(1) atom. In the second O site, O(8) is bonded in a 6-coordinate geometry to four equivalent Ba(1) and two equivalent Y(2) atoms. In the third O site, O(9) is bonded in a distorted single-bond geometry to four equivalent Ba(2) and one Fe(1) atom. In the fourth O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Ba(2) and two equivalent Y(1) atoms. In the fifth O site, O(2) is bonded in a distorted linear geometry to one Ba(1), three equivalent Ba(2), one Y(1), and one Fe(1) atom. In the sixth O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Y(2), and one Fe(2) atom. In the seventh O site, O(4) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Y(1), and one Fe(2) atom. In the eighth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Y(1), and one Fe(2) atom. In the ninth O site, O(6) is bonded in a distorted octahedral geometry to two equivalent Ba(1), two equivalent Ba(2), one Y(2), and one Fe(1) atom. is represented by the CIF card [CIF]
data_Ba4Y2Fe2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.144
_cell_length_b   8.227
_cell_length_c   12.324
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   623.010
_cell_formula_units_Z   2
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  0.727  0.238  0.867  1.0
  Ba  Ba1  1  0.727  0.762  0.867  1.0
  Ba  Ba2  1  0.227  0.762  0.133  1.0
  Ba  Ba3  1  0.227  0.238  0.133  1.0
  Ba  Ba4  1  0.244  0.229  0.607  1.0
  Ba  Ba5  1  0.244  0.771  0.607  1.0
  Ba  Ba6  1  0.744  0.771  0.393  1.0
  Ba  Ba7  1  0.744  0.229  0.393  1.0
  Y  Y8  1  0.743  0.500  0.625  1.0
  Y  Y9  1  0.243  0.500  0.375  1.0
  Y  Y10  1  0.224  0.000  0.874  1.0
  Y  Y11  1  0.724  0.000  0.126  1.0
  Fe  Fe12  1  0.731  0.000  0.638  1.0
  Fe  Fe13  1  0.231  0.000  0.362  1.0
  Fe  Fe14  1  0.221  0.500  0.841  1.0
  Fe  Fe15  1  0.721  0.500  0.159  1.0
  O  O16  1  0.524  0.500  0.485  1.0
  O  O17  1  0.024  0.500  0.515  1.0
  O  O18  1  0.755  0.228  0.628  1.0
  O  O19  1  0.755  0.772  0.628  1.0
  O  O20  1  0.255  0.772  0.372  1.0
  O  O21  1  0.255  0.228  0.372  1.0
  O  O22  1  0.232  0.292  0.896  1.0
  O  O23  1  0.232  0.708  0.896  1.0
  O  O24  1  0.732  0.708  0.104  1.0
  O  O25  1  0.732  0.292  0.104  1.0
  O  O26  1  0.458  0.500  0.751  1.0
  O  O27  1  0.958  0.500  0.249  1.0
  O  O28  1  0.444  0.500  0.214  1.0
  O  O29  1  0.944  0.500  0.786  1.0
  O  O30  1  0.499  0.000  0.755  1.0
  O  O31  1  0.999  0.000  0.245  1.0
  O  O32  1  0.480  0.000  0.264  1.0
  O  O33  1  0.980  0.000  0.736  1.0
  O  O34  1  0.441  0.000  0.015  1.0
  O  O35  1  0.941  0.000  0.985  1.0
  O  O36  1  0.539  0.000  0.519  1.0
  O  O37  1  0.039  0.000  0.481  1.0
[/CIF]
.