The material described by LiBa2Y2(Fe2O5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted trigonal planar geometry to one O(2), one O(5), and one O(8) atom. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one O(8), two equivalent O(10), 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(7), one O(8), two equivalent O(10), two equivalent O(3), and two equivalent O(9) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one O(5), 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(5), one O(6), one O(7), 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(1), one O(3), one O(9), and two equivalent O(7) atoms to form distorted corner-sharing FeO5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one O(10), one O(4), and two equivalent O(8) atoms. In the third Fe site, Fe(3) is bonded to one O(2), one O(4), one O(9), and two equivalent O(6) atoms to form distorted corner-sharing FeO5 trigonal bipyramids. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(10), one O(3), and two equivalent O(5) atoms to form corner-sharing FeO5 trigonal bipyramids. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Y(2), one Fe(1), and one Fe(4) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Ba(1), two equivalent Y(2), and one Fe(3) atom. In the third O site, O(3) is bonded to two equivalent Ba(2), two equivalent Y(1), one Fe(1), and one Fe(4) atom to form OBa2Y2Fe2 octahedra that share corners with two equivalent O(9)Ba4Fe2 octahedra, corners with two equivalent O(4)Y2Fe2 tetrahedra, edges with two equivalent O(3)Ba2Y2Fe2 octahedra,  an edgeedge with one O(4)Y2Fe2 tetrahedra, and  a faceface with one O(9)Ba4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. In the fourth O site, O(4) is bonded to two equivalent Y(1), one Fe(2), and one Fe(3) atom to form OY2Fe2 tetrahedra that share  a cornercorner with one O(9)Ba4Fe2 octahedra, corners with two equivalent O(3)Ba2Y2Fe2 octahedra, corners with two equivalent O(4)Y2Fe2 tetrahedra, and  an edgeedge with one O(3)Ba2Y2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 13-58°. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Y(1), one Y(2), and two equivalent Fe(4) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), and two equivalent Fe(3) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(2), one Y(1), one Y(2), and two equivalent Fe(1) atoms. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Ba(1), one Ba(2), one Y(1), and two equivalent Fe(2) atoms. In the ninth O site, O(9) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Fe(1), and one Fe(3) atom to form distorted OBa4Fe2 octahedra that share corners with two equivalent O(3)Ba2Y2Fe2 octahedra,  a cornercorner with one O(4)Y2Fe2 tetrahedra, edges with two equivalent O(9)Ba4Fe2 octahedra, and  a faceface with one O(3)Ba2Y2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Fe(2), and one Fe(4) atom. is represented by the CIF card [CIF]
data_Ba2LiY2(Fe2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.876
_cell_length_b   8.180
_cell_length_c   8.422
_cell_angle_alpha   95.565
_cell_angle_beta   91.659
_cell_angle_gamma   89.389
_symmetry_Int_Tables_number   1
_cell_volume   265.639
_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  0.982  0.059  0.509  1.0
  Ba  Ba1  1  0.985  0.964  0.004  1.0
  Li  Li2  1  0.738  0.402  0.685  1.0
  Y  Y3  1  0.995  0.514  0.000  1.0
  Y  Y4  1  0.048  0.535  0.446  1.0
  Fe  Fe5  1  0.507  0.771  0.244  1.0
  Fe  Fe6  1  0.456  0.206  0.836  1.0
  Fe  Fe7  1  0.509  0.286  0.236  1.0
  Fe  Fe8  1  0.508  0.730  0.730  1.0
  O  O9  1  0.527  0.704  0.465  1.0
  O  O10  1  0.527  0.348  0.492  1.0
  O  O11  1  0.496  0.726  0.000  1.0
  O  O12  1  0.493  0.382  0.013  1.0
  O  O13  1  0.980  0.604  0.731  1.0
  O  O14  1  0.007  0.338  0.235  1.0
  O  O15  1  0.010  0.697  0.232  1.0
  O  O16  1  0.959  0.248  0.803  1.0
  O  O17  1  0.494  0.005  0.261  1.0
  O  O18  1  0.460  0.974  0.744  1.0
[/CIF]
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The material described by LiBa2Y2(Fe2O5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted trigonal planar geometry to one O(2), one O(5), and one O(8) atom. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one O(8), two equivalent O(10), 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(7), one O(8), two equivalent O(10), two equivalent O(3), and two equivalent O(9) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one O(5), 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(5), one O(6), one O(7), 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(1), one O(3), one O(9), and two equivalent O(7) atoms to form distorted corner-sharing FeO5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one O(10), one O(4), and two equivalent O(8) atoms. In the third Fe site, Fe(3) is bonded to one O(2), one O(4), one O(9), and two equivalent O(6) atoms to form distorted corner-sharing FeO5 trigonal bipyramids. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(10), one O(3), and two equivalent O(5) atoms to form corner-sharing FeO5 trigonal bipyramids. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Y(2), one Fe(1), and one Fe(4) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Ba(1), two equivalent Y(2), and one Fe(3) atom. In the third O site, O(3) is bonded to two equivalent Ba(2), two equivalent Y(1), one Fe(1), and one Fe(4) atom to form OBa2Y2Fe2 octahedra that share corners with two equivalent O(9)Ba4Fe2 octahedra, corners with two equivalent O(4)Y2Fe2 tetrahedra, edges with two equivalent O(3)Ba2Y2Fe2 octahedra,  an edgeedge with one O(4)Y2Fe2 tetrahedra, and  a faceface with one O(9)Ba4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. In the fourth O site, O(4) is bonded to two equivalent Y(1), one Fe(2), and one Fe(3) atom to form OY2Fe2 tetrahedra that share  a cornercorner with one O(9)Ba4Fe2 octahedra, corners with two equivalent O(3)Ba2Y2Fe2 octahedra, corners with two equivalent O(4)Y2Fe2 tetrahedra, and  an edgeedge with one O(3)Ba2Y2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 13-58°. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Y(1), one Y(2), and two equivalent Fe(4) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), and two equivalent Fe(3) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(2), one Y(1), one Y(2), and two equivalent Fe(1) atoms. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Ba(1), one Ba(2), one Y(1), and two equivalent Fe(2) atoms. In the ninth O site, O(9) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Fe(1), and one Fe(3) atom to form distorted OBa4Fe2 octahedra that share corners with two equivalent O(3)Ba2Y2Fe2 octahedra,  a cornercorner with one O(4)Y2Fe2 tetrahedra, edges with two equivalent O(9)Ba4Fe2 octahedra, and  a faceface with one O(3)Ba2Y2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Fe(2), and one Fe(4) atom. is represented by the CIF card [CIF]
data_Ba2LiY2(Fe2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.876
_cell_length_b   8.180
_cell_length_c   8.422
_cell_angle_alpha   95.565
_cell_angle_beta   91.659
_cell_angle_gamma   89.389
_symmetry_Int_Tables_number   1
_cell_volume   265.639
_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  0.982  0.059  0.509  1.0
  Ba  Ba1  1  0.985  0.964  0.004  1.0
  Li  Li2  1  0.738  0.402  0.685  1.0
  Y  Y3  1  0.995  0.514  0.000  1.0
  Y  Y4  1  0.048  0.535  0.446  1.0
  Fe  Fe5  1  0.507  0.771  0.244  1.0
  Fe  Fe6  1  0.456  0.206  0.836  1.0
  Fe  Fe7  1  0.509  0.286  0.236  1.0
  Fe  Fe8  1  0.508  0.730  0.730  1.0
  O  O9  1  0.527  0.704  0.465  1.0
  O  O10  1  0.527  0.348  0.492  1.0
  O  O11  1  0.496  0.726  0.000  1.0
  O  O12  1  0.493  0.382  0.013  1.0
  O  O13  1  0.980  0.604  0.731  1.0
  O  O14  1  0.007  0.338  0.235  1.0
  O  O15  1  0.010  0.697  0.232  1.0
  O  O16  1  0.959  0.248  0.803  1.0
  O  O17  1  0.494  0.005  0.261  1.0
  O  O18  1  0.460  0.974  0.744  1.0
[/CIF]
.