The material structure described by Ba2CaY2(Fe2O5)2 crystallizes in the monoclinic Pm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(2), and two equivalent O(9) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one O(5), one O(7), two equivalent O(10), two equivalent O(3), and two equivalent O(9) atoms. Ca(1) is bonded in a 6-coordinate geometry to one O(6), one O(8), two equivalent O(10), and two equivalent O(4) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(6), one O(7), one O(8), two equivalent O(3), and two equivalent O(4) atoms. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(6), one O(7), one O(8), 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 in a distorted see-saw-like geometry to one O(1), one O(9), and two equivalent O(7) atoms. In the second Fe site, Fe(2) is bonded to one O(10), one O(2), one O(4), and two equivalent O(8) atoms to form distorted corner-sharing FeO5 trigonal bipyramids. In the third Fe site, Fe(3) is bonded in a square co-planar geometry to one O(2), one O(4), and two equivalent O(6) atoms. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(3), and two equivalent O(5) atoms to form distorted corner-sharing FeO4 tetrahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Y(2), one Fe(1), and one Fe(4) atom to form OY2Fe2 trigonal pyramids that share corners with two equivalent O(2)Ba2Y2Fe2 octahedra,  a cornercorner with one O(3)Ba2Y2Fe square pyramid,  a cornercorner with one O(9)Ba4Fe square pyramid, corners with two equivalent O(5)Ba2Fe2 tetrahedra, corners with two equivalent O(6)CaY2Fe2 trigonal bipyramids, corners with two equivalent O(8)CaY2Fe2 trigonal bipyramids, corners with two equivalent O(1)Y2Fe2 trigonal pyramids,  an edgeedge with one O(2)Ba2Y2Fe2 octahedra, and edges with two equivalent O(7)BaY2Fe2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 18°. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Y(2), one Fe(2), and one Fe(3) atom to form distorted OBa2Y2Fe2 octahedra that share corners with two equivalent O(4)Ca2Y2Fe2 octahedra, corners with two equivalent O(9)Ba4Fe square pyramids, corners with two equivalent O(5)Ba2Fe2 tetrahedra, corners with two equivalent O(7)BaY2Fe2 trigonal bipyramids, corners with two equivalent O(1)Y2Fe2 trigonal pyramids, edges with two equivalent O(2)Ba2Y2Fe2 octahedra,  an edgeedge with one O(9)Ba4Fe square pyramid, edges with two equivalent O(6)CaY2Fe2 trigonal bipyramids, edges with two equivalent O(8)CaY2Fe2 trigonal bipyramids, and  an edgeedge with one O(1)Y2Fe2 trigonal pyramid. The corner-sharing octahedral tilt angles range from 4-10°. In the third O site, O(3) is bonded to two equivalent Ba(2), two equivalent Y(1), and one Fe(4) atom to form distorted OBa2Y2Fe square pyramids that share corners with two equivalent O(4)Ca2Y2Fe2 octahedra, corners with two equivalent O(9)Ba4Fe square pyramids, corners with two equivalent O(6)CaY2Fe2 trigonal bipyramids, corners with two equivalent O(8)CaY2Fe2 trigonal bipyramids,  a cornercorner with one O(1)Y2Fe2 trigonal pyramid,  an edgeedge with one O(4)Ca2Y2Fe2 octahedra,  an edgeedge with one O(9)Ba4Fe square pyramid, edges with two equivalent O(3)Ba2Y2Fe square pyramids, edges with two equivalent O(5)Ba2Fe2 tetrahedra, and edges with two equivalent O(7)BaY2Fe2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 12°. In the fourth O site, O(4) is bonded to two equivalent Ca(1), two equivalent Y(1), one Fe(2), and one Fe(3) atom to form distorted OCa2Y2Fe2 octahedra that share corners with two equivalent O(2)Ba2Y2Fe2 octahedra, corners with two equivalent O(3)Ba2Y2Fe square pyramids, corners with two equivalent O(7)BaY2Fe2 trigonal bipyramids, edges with two equivalent O(4)Ca2Y2Fe2 octahedra,  an edgeedge with one O(3)Ba2Y2Fe square pyramid, faces with two equivalent O(6)CaY2Fe2 trigonal bipyramids, and faces with two equivalent O(8)CaY2Fe2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 4-10°. In the fifth O site, O(5) is bonded to one Ba(1), one Ba(2), and two equivalent Fe(4) atoms to form distorted OBa2Fe2 tetrahedra that share corners with two equivalent O(2)Ba2Y2Fe2 octahedra, corners with four equivalent O(9)Ba4Fe square pyramids, corners with two equivalent O(5)Ba2Fe2 tetrahedra,  a cornercorner with one O(7)BaY2Fe2 trigonal bipyramid, corners with two equivalent O(1)Y2Fe2 trigonal pyramids, and edges with two equivalent O(3)Ba2Y2Fe square pyramids. The corner-sharing octahedral tilt angles are 49°. In the sixth O site, O(6) is bonded to one Ca(1), one Y(1), one Y(2), and two equivalent Fe(3) atoms to form distorted OCaY2Fe2 trigonal bipyramids that share corners with two equivalent O(3)Ba2Y2Fe square pyramids,  a cornercorner with one O(8)CaY2Fe2 trigonal bipyramid, corners with two equivalent O(6)CaY2Fe2 trigonal bipyramids, corners with two equivalent O(1)Y2Fe2 trigonal pyramids, edges with two equivalent O(2)Ba2Y2Fe2 octahedra,  an edgeedge with one O(7)BaY2Fe2 trigonal bipyramid,  an edgeedge with one O(8)CaY2Fe2 trigonal bipyramid, and faces with two equivalent O(4)Ca2Y2Fe2 octahedra. In the seventh O site, O(7) is bonded to one Ba(2), one Y(1), one Y(2), and two equivalent Fe(1) atoms to form distorted OBaY2Fe2 trigonal bipyramids that share corners with two equivalent O(2)Ba2Y2Fe2 octahedra, corners with two equivalent O(4)Ca2Y2Fe2 octahedra,  a cornercorner with one O(5)Ba2Fe2 tetrahedra, corners with two equivalent O(7)BaY2Fe2 trigonal bipyramids, corners with two equivalent O(8)CaY2Fe2 trigonal bipyramids, edges with two equivalent O(3)Ba2Y2Fe square pyramids, edges with two equivalent O(9)Ba4Fe square pyramids,  an edgeedge with one O(6)CaY2Fe2 trigonal bipyramid, and edges with two equivalent O(1)Y2Fe2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 59-71°. In the eighth O site, O(8) is bonded to one Ca(1), one Y(1), one Y(2), and two equivalent Fe(2) atoms to form distorted OCaY2Fe2 trigonal bipyramids that share corners with two equivalent O(3)Ba2Y2Fe square pyramids,  a cornercorner with one O(6)CaY2Fe2 trigonal bipyramid, corners with two equivalent O(7)BaY2Fe2 trigonal bipyramids, corners with two equivalent O(8)CaY2Fe2 trigonal bipyramids, corners with two equivalent O(1)Y2Fe2 trigonal pyramids, edges with two equivalent O(2)Ba2Y2Fe2 octahedra,  an edgeedge with one O(6)CaY2Fe2 trigonal bipyramid, and faces with two equivalent O(4)Ca2Y2Fe2 octahedra. In the ninth O site, O(9) is bonded to two equivalent Ba(1), two equivalent Ba(2), and one Fe(1) atom to form distorted OBa4Fe square pyramids that share corners with two equivalent O(2)Ba2Y2Fe2 octahedra, corners with two equivalent O(3)Ba2Y2Fe square pyramids, corners with four equivalent O(5)Ba2Fe2 tetrahedra,  a cornercorner with one O(1)Y2Fe2 trigonal pyramid,  an edgeedge with one O(2)Ba2Y2Fe2 octahedra,  an edgeedge with one O(3)Ba2Y2Fe square pyramid, edges with two equivalent O(9)Ba4Fe square pyramids, and edges with two equivalent O(7)BaY2Fe2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 48°. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to two equivalent Ba(2), two equivalent Ca(1), and one Fe(2) atom. is represented by the CIF file [CIF]
data_Ba2CaY2(Fe2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.778
_cell_length_b   9.590
_cell_length_c   8.063
_cell_angle_alpha   89.125
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   292.082
_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  0.023  0.504  1.0
  Ba  Ba1  1  0.000  0.882  0.018  1.0
  Ca  Ca2  1  0.000  0.211  0.955  1.0
  Y  Y3  1  0.000  0.528  0.012  1.0
  Y  Y4  1  0.000  0.463  0.478  1.0
  Fe  Fe5  1  0.500  0.721  0.326  1.0
  Fe  Fe6  1  0.500  0.308  0.732  1.0
  Fe  Fe7  1  0.500  0.301  0.244  1.0
  Fe  Fe8  1  0.500  0.726  0.704  1.0
  O  O9  1  0.500  0.578  0.521  1.0
  O  O10  1  0.500  0.264  0.487  1.0
  O  O11  1  0.500  0.676  0.955  1.0
  O  O12  1  0.500  0.374  0.005  1.0
  O  O13  1  0.000  0.801  0.693  1.0
  O  O14  1  0.000  0.337  0.231  1.0
  O  O15  1  0.000  0.645  0.257  1.0
  O  O16  1  0.000  0.393  0.752  1.0
  O  O17  1  0.500  0.924  0.279  1.0
  O  O18  1  0.500  0.103  0.846  1.0
[/CIF]
.
The material structure described by Ba2CaY2(Fe2O5)2 crystallizes in the monoclinic Pm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(2), and two equivalent O(9) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one O(5), one O(7), two equivalent O(10), two equivalent O(3), and two equivalent O(9) atoms. Ca(1) is bonded in a 6-coordinate geometry to one O(6), one O(8), two equivalent O(10), and two equivalent O(4) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(6), one O(7), one O(8), two equivalent O(3), and two equivalent O(4) atoms. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(6), one O(7), one O(8), 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 in a distorted see-saw-like geometry to one O(1), one O(9), and two equivalent O(7) atoms. In the second Fe site, Fe(2) is bonded to one O(10), one O(2), one O(4), and two equivalent O(8) atoms to form distorted corner-sharing FeO5 trigonal bipyramids. In the third Fe site, Fe(3) is bonded in a square co-planar geometry to one O(2), one O(4), and two equivalent O(6) atoms. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(3), and two equivalent O(5) atoms to form distorted corner-sharing FeO4 tetrahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Y(2), one Fe(1), and one Fe(4) atom to form OY2Fe2 trigonal pyramids that share corners with two equivalent O(2)Ba2Y2Fe2 octahedra,  a cornercorner with one O(3)Ba2Y2Fe square pyramid,  a cornercorner with one O(9)Ba4Fe square pyramid, corners with two equivalent O(5)Ba2Fe2 tetrahedra, corners with two equivalent O(6)CaY2Fe2 trigonal bipyramids, corners with two equivalent O(8)CaY2Fe2 trigonal bipyramids, corners with two equivalent O(1)Y2Fe2 trigonal pyramids,  an edgeedge with one O(2)Ba2Y2Fe2 octahedra, and edges with two equivalent O(7)BaY2Fe2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 18°. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Y(2), one Fe(2), and one Fe(3) atom to form distorted OBa2Y2Fe2 octahedra that share corners with two equivalent O(4)Ca2Y2Fe2 octahedra, corners with two equivalent O(9)Ba4Fe square pyramids, corners with two equivalent O(5)Ba2Fe2 tetrahedra, corners with two equivalent O(7)BaY2Fe2 trigonal bipyramids, corners with two equivalent O(1)Y2Fe2 trigonal pyramids, edges with two equivalent O(2)Ba2Y2Fe2 octahedra,  an edgeedge with one O(9)Ba4Fe square pyramid, edges with two equivalent O(6)CaY2Fe2 trigonal bipyramids, edges with two equivalent O(8)CaY2Fe2 trigonal bipyramids, and  an edgeedge with one O(1)Y2Fe2 trigonal pyramid. The corner-sharing octahedral tilt angles range from 4-10°. In the third O site, O(3) is bonded to two equivalent Ba(2), two equivalent Y(1), and one Fe(4) atom to form distorted OBa2Y2Fe square pyramids that share corners with two equivalent O(4)Ca2Y2Fe2 octahedra, corners with two equivalent O(9)Ba4Fe square pyramids, corners with two equivalent O(6)CaY2Fe2 trigonal bipyramids, corners with two equivalent O(8)CaY2Fe2 trigonal bipyramids,  a cornercorner with one O(1)Y2Fe2 trigonal pyramid,  an edgeedge with one O(4)Ca2Y2Fe2 octahedra,  an edgeedge with one O(9)Ba4Fe square pyramid, edges with two equivalent O(3)Ba2Y2Fe square pyramids, edges with two equivalent O(5)Ba2Fe2 tetrahedra, and edges with two equivalent O(7)BaY2Fe2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 12°. In the fourth O site, O(4) is bonded to two equivalent Ca(1), two equivalent Y(1), one Fe(2), and one Fe(3) atom to form distorted OCa2Y2Fe2 octahedra that share corners with two equivalent O(2)Ba2Y2Fe2 octahedra, corners with two equivalent O(3)Ba2Y2Fe square pyramids, corners with two equivalent O(7)BaY2Fe2 trigonal bipyramids, edges with two equivalent O(4)Ca2Y2Fe2 octahedra,  an edgeedge with one O(3)Ba2Y2Fe square pyramid, faces with two equivalent O(6)CaY2Fe2 trigonal bipyramids, and faces with two equivalent O(8)CaY2Fe2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 4-10°. In the fifth O site, O(5) is bonded to one Ba(1), one Ba(2), and two equivalent Fe(4) atoms to form distorted OBa2Fe2 tetrahedra that share corners with two equivalent O(2)Ba2Y2Fe2 octahedra, corners with four equivalent O(9)Ba4Fe square pyramids, corners with two equivalent O(5)Ba2Fe2 tetrahedra,  a cornercorner with one O(7)BaY2Fe2 trigonal bipyramid, corners with two equivalent O(1)Y2Fe2 trigonal pyramids, and edges with two equivalent O(3)Ba2Y2Fe square pyramids. The corner-sharing octahedral tilt angles are 49°. In the sixth O site, O(6) is bonded to one Ca(1), one Y(1), one Y(2), and two equivalent Fe(3) atoms to form distorted OCaY2Fe2 trigonal bipyramids that share corners with two equivalent O(3)Ba2Y2Fe square pyramids,  a cornercorner with one O(8)CaY2Fe2 trigonal bipyramid, corners with two equivalent O(6)CaY2Fe2 trigonal bipyramids, corners with two equivalent O(1)Y2Fe2 trigonal pyramids, edges with two equivalent O(2)Ba2Y2Fe2 octahedra,  an edgeedge with one O(7)BaY2Fe2 trigonal bipyramid,  an edgeedge with one O(8)CaY2Fe2 trigonal bipyramid, and faces with two equivalent O(4)Ca2Y2Fe2 octahedra. In the seventh O site, O(7) is bonded to one Ba(2), one Y(1), one Y(2), and two equivalent Fe(1) atoms to form distorted OBaY2Fe2 trigonal bipyramids that share corners with two equivalent O(2)Ba2Y2Fe2 octahedra, corners with two equivalent O(4)Ca2Y2Fe2 octahedra,  a cornercorner with one O(5)Ba2Fe2 tetrahedra, corners with two equivalent O(7)BaY2Fe2 trigonal bipyramids, corners with two equivalent O(8)CaY2Fe2 trigonal bipyramids, edges with two equivalent O(3)Ba2Y2Fe square pyramids, edges with two equivalent O(9)Ba4Fe square pyramids,  an edgeedge with one O(6)CaY2Fe2 trigonal bipyramid, and edges with two equivalent O(1)Y2Fe2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 59-71°. In the eighth O site, O(8) is bonded to one Ca(1), one Y(1), one Y(2), and two equivalent Fe(2) atoms to form distorted OCaY2Fe2 trigonal bipyramids that share corners with two equivalent O(3)Ba2Y2Fe square pyramids,  a cornercorner with one O(6)CaY2Fe2 trigonal bipyramid, corners with two equivalent O(7)BaY2Fe2 trigonal bipyramids, corners with two equivalent O(8)CaY2Fe2 trigonal bipyramids, corners with two equivalent O(1)Y2Fe2 trigonal pyramids, edges with two equivalent O(2)Ba2Y2Fe2 octahedra,  an edgeedge with one O(6)CaY2Fe2 trigonal bipyramid, and faces with two equivalent O(4)Ca2Y2Fe2 octahedra. In the ninth O site, O(9) is bonded to two equivalent Ba(1), two equivalent Ba(2), and one Fe(1) atom to form distorted OBa4Fe square pyramids that share corners with two equivalent O(2)Ba2Y2Fe2 octahedra, corners with two equivalent O(3)Ba2Y2Fe square pyramids, corners with four equivalent O(5)Ba2Fe2 tetrahedra,  a cornercorner with one O(1)Y2Fe2 trigonal pyramid,  an edgeedge with one O(2)Ba2Y2Fe2 octahedra,  an edgeedge with one O(3)Ba2Y2Fe square pyramid, edges with two equivalent O(9)Ba4Fe square pyramids, and edges with two equivalent O(7)BaY2Fe2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 48°. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to two equivalent Ba(2), two equivalent Ca(1), and one Fe(2) atom. is represented by the CIF file [CIF]
data_Ba2CaY2(Fe2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.778
_cell_length_b   9.590
_cell_length_c   8.063
_cell_angle_alpha   89.125
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   292.082
_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  0.023  0.504  1.0
  Ba  Ba1  1  0.000  0.882  0.018  1.0
  Ca  Ca2  1  0.000  0.211  0.955  1.0
  Y  Y3  1  0.000  0.528  0.012  1.0
  Y  Y4  1  0.000  0.463  0.478  1.0
  Fe  Fe5  1  0.500  0.721  0.326  1.0
  Fe  Fe6  1  0.500  0.308  0.732  1.0
  Fe  Fe7  1  0.500  0.301  0.244  1.0
  Fe  Fe8  1  0.500  0.726  0.704  1.0
  O  O9  1  0.500  0.578  0.521  1.0
  O  O10  1  0.500  0.264  0.487  1.0
  O  O11  1  0.500  0.676  0.955  1.0
  O  O12  1  0.500  0.374  0.005  1.0
  O  O13  1  0.000  0.801  0.693  1.0
  O  O14  1  0.000  0.337  0.231  1.0
  O  O15  1  0.000  0.645  0.257  1.0
  O  O16  1  0.000  0.393  0.752  1.0
  O  O17  1  0.500  0.924  0.279  1.0
  O  O18  1  0.500  0.103  0.846  1.0
[/CIF]
.