The material described by Ca(Fe2O3)4 crystallizes in the triclinic P1 space group. Ca(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(7), and one O(8) atom to form distorted CaO6 pentagonal pyramids that share  a cornercorner with one Fe(7)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(8)O5 trigonal bipyramid, and corners with two equivalent Fe(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 11-65°. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(11), one O(3), one O(5), and one O(9) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  a cornercorner with one Ca(1)O6 pentagonal pyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid, corners with three equivalent Fe(8)O5 trigonal bipyramids,  an edgeedge with one Fe(7)O6 octahedra, and  an edgeedge with one Fe(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 55-67°. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(2), one O(3), one O(4), and one O(6) atom to form distorted FeO6 octahedra that share corners with two equivalent Fe(7)O6 octahedra, corners with three equivalent Ca(1)O6 pentagonal pyramids,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid,  a cornercorner with one Fe(8)O5 trigonal bipyramid, and  an edgeedge with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-36°. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(7) atom. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(11), one O(4), one O(8), and one O(9) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(7)O6 octahedra, corners with two equivalent Ca(1)O6 pentagonal pyramids,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  an edgeedge with one Fe(1)O5 trigonal bipyramid, and edges with two equivalent Fe(8)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 34-59°. In the fifth Fe site, Fe(5) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(7), one O(8), and one O(9) atom. In the sixth Fe site, Fe(6) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(2), one O(6), and one O(7) atom. In the seventh Fe site, Fe(7) is bonded to one O(12), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form distorted FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Ca(1)O6 pentagonal pyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(8)O5 trigonal bipyramid, corners with two equivalent Fe(4)O5 trigonal bipyramids,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(8)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 22-36°. In the eighth Fe site, Fe(8) is bonded to one O(11), one O(4), one O(5), one O(8), and one O(9) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  a cornercorner with one Ca(1)O6 pentagonal pyramid, corners with three equivalent Fe(1)O5 trigonal bipyramids,  an edgeedge with one Fe(7)O6 octahedra, and edges with two equivalent Fe(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 40-48°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to one Ca(1), one Fe(1), one Fe(4), and one Fe(5) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Fe(2), one Fe(3), and one Fe(6) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Fe(1), one Fe(2), one Fe(3), and one Fe(7) atom. In the fourth O site, O(4) is bonded to one Fe(2), one Fe(4), one Fe(7), and one Fe(8) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(7), and one Fe(8) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Fe(2), one Fe(3), one Fe(6), and one Fe(7) atom. In the seventh O site, O(7) is bonded to one Ca(1), one Fe(3), one Fe(5), and one Fe(6) atom to form corner-sharing OCaFe3 trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Fe(4), one Fe(5), and one Fe(8) atom. In the ninth O site, O(9) is bonded to one Fe(1), one Fe(4), one Fe(5), one Fe(7), and one Fe(8) atom to form distorted OFe5 trigonal bipyramids that share  a cornercorner with one O(7)CaFe3 trigonal pyramid,  a cornercorner with one O(4)Fe4 trigonal pyramid, and  an edgeedge with one O(4)Fe4 trigonal pyramid. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Fe(2), one Fe(3), and one Fe(6) atom. In the eleventh O site, O(11) is bonded in a see-saw-like geometry to one Fe(1), one Fe(4), one Fe(5), and one Fe(8) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Ca(1), one Fe(2), one Fe(3), one Fe(6), and one Fe(7) atom. is represented by the CIF card [CIF]
data_Ca(Fe2O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.345
_cell_length_b   5.581
_cell_length_c   8.938
_cell_angle_alpha   82.185
_cell_angle_beta   80.510
_cell_angle_gamma   77.522
_symmetry_Int_Tables_number   1
_cell_volume   255.309
_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
  Ca  Ca0  1  0.567  0.400  0.706  1.0
  Fe  Fe1  1  0.282  0.446  0.101  1.0
  Fe  Fe2  1  0.228  0.004  0.404  1.0
  Fe  Fe3  1  0.140  0.470  0.498  1.0
  Fe  Fe4  1  0.329  0.943  0.995  1.0
  Fe  Fe5  1  0.853  0.631  0.907  1.0
  Fe  Fe6  1  0.732  0.928  0.566  1.0
  Fe  Fe7  1  0.731  0.629  0.278  1.0
  Fe  Fe8  1  0.776  0.110  0.069  1.0
  O  O9  1  0.447  0.638  0.905  1.0
  O  O10  1  0.937  0.157  0.577  1.0
  O  O11  1  0.083  0.357  0.308  1.0
  O  O12  1  0.465  0.935  0.197  1.0
  O  O13  1  0.629  0.398  0.174  1.0
  O  O14  1  0.946  0.810  0.384  1.0
  O  O15  1  0.905  0.621  0.677  1.0
  O  O16  1  0.630  0.070  0.890  1.0
  O  O17  1  0.976  0.769  0.079  1.0
  O  O18  1  0.419  0.164  0.533  1.0
  O  O19  1  0.080  0.255  0.973  1.0
  O  O20  1  0.445  0.665  0.475  1.0
[/CIF]
.
The material described by Ca(Fe2O3)4 crystallizes in the triclinic P1 space group. Ca(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(7), and one O(8) atom to form distorted CaO6 pentagonal pyramids that share  a cornercorner with one Fe(7)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(8)O5 trigonal bipyramid, and corners with two equivalent Fe(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 11-65°. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(11), one O(3), one O(5), and one O(9) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  a cornercorner with one Ca(1)O6 pentagonal pyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid, corners with three equivalent Fe(8)O5 trigonal bipyramids,  an edgeedge with one Fe(7)O6 octahedra, and  an edgeedge with one Fe(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 55-67°. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(2), one O(3), one O(4), and one O(6) atom to form distorted FeO6 octahedra that share corners with two equivalent Fe(7)O6 octahedra, corners with three equivalent Ca(1)O6 pentagonal pyramids,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O5 trigonal bipyramid,  a cornercorner with one Fe(8)O5 trigonal bipyramid, and  an edgeedge with one Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-36°. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(7) atom. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(11), one O(4), one O(8), and one O(9) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(7)O6 octahedra, corners with two equivalent Ca(1)O6 pentagonal pyramids,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  an edgeedge with one Fe(1)O5 trigonal bipyramid, and edges with two equivalent Fe(8)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 34-59°. In the fifth Fe site, Fe(5) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(7), one O(8), and one O(9) atom. In the sixth Fe site, Fe(6) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(2), one O(6), and one O(7) atom. In the seventh Fe site, Fe(7) is bonded to one O(12), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form distorted FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Ca(1)O6 pentagonal pyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(8)O5 trigonal bipyramid, corners with two equivalent Fe(4)O5 trigonal bipyramids,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(8)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 22-36°. In the eighth Fe site, Fe(8) is bonded to one O(11), one O(4), one O(5), one O(8), and one O(9) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(7)O6 octahedra,  a cornercorner with one Ca(1)O6 pentagonal pyramid, corners with three equivalent Fe(1)O5 trigonal bipyramids,  an edgeedge with one Fe(7)O6 octahedra, and edges with two equivalent Fe(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 40-48°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to one Ca(1), one Fe(1), one Fe(4), and one Fe(5) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Fe(2), one Fe(3), and one Fe(6) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Fe(1), one Fe(2), one Fe(3), and one Fe(7) atom. In the fourth O site, O(4) is bonded to one Fe(2), one Fe(4), one Fe(7), and one Fe(8) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(7), and one Fe(8) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Fe(2), one Fe(3), one Fe(6), and one Fe(7) atom. In the seventh O site, O(7) is bonded to one Ca(1), one Fe(3), one Fe(5), and one Fe(6) atom to form corner-sharing OCaFe3 trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), one Fe(4), one Fe(5), and one Fe(8) atom. In the ninth O site, O(9) is bonded to one Fe(1), one Fe(4), one Fe(5), one Fe(7), and one Fe(8) atom to form distorted OFe5 trigonal bipyramids that share  a cornercorner with one O(7)CaFe3 trigonal pyramid,  a cornercorner with one O(4)Fe4 trigonal pyramid, and  an edgeedge with one O(4)Fe4 trigonal pyramid. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Fe(2), one Fe(3), and one Fe(6) atom. In the eleventh O site, O(11) is bonded in a see-saw-like geometry to one Fe(1), one Fe(4), one Fe(5), and one Fe(8) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Ca(1), one Fe(2), one Fe(3), one Fe(6), and one Fe(7) atom. is represented by the CIF card [CIF]
data_Ca(Fe2O3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.345
_cell_length_b   5.581
_cell_length_c   8.938
_cell_angle_alpha   82.185
_cell_angle_beta   80.510
_cell_angle_gamma   77.522
_symmetry_Int_Tables_number   1
_cell_volume   255.309
_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
  Ca  Ca0  1  0.567  0.400  0.706  1.0
  Fe  Fe1  1  0.282  0.446  0.101  1.0
  Fe  Fe2  1  0.228  0.004  0.404  1.0
  Fe  Fe3  1  0.140  0.470  0.498  1.0
  Fe  Fe4  1  0.329  0.943  0.995  1.0
  Fe  Fe5  1  0.853  0.631  0.907  1.0
  Fe  Fe6  1  0.732  0.928  0.566  1.0
  Fe  Fe7  1  0.731  0.629  0.278  1.0
  Fe  Fe8  1  0.776  0.110  0.069  1.0
  O  O9  1  0.447  0.638  0.905  1.0
  O  O10  1  0.937  0.157  0.577  1.0
  O  O11  1  0.083  0.357  0.308  1.0
  O  O12  1  0.465  0.935  0.197  1.0
  O  O13  1  0.629  0.398  0.174  1.0
  O  O14  1  0.946  0.810  0.384  1.0
  O  O15  1  0.905  0.621  0.677  1.0
  O  O16  1  0.630  0.070  0.890  1.0
  O  O17  1  0.976  0.769  0.079  1.0
  O  O18  1  0.419  0.164  0.533  1.0
  O  O19  1  0.080  0.255  0.973  1.0
  O  O20  1  0.445  0.665  0.475  1.0
[/CIF]
.