The crystal structure described by Ca2Fe7O11 crystallizes in the monoclinic C2/m space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(5), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 0-45°. In the second Fe site, Fe(2) is bonded to one O(4), two equivalent O(6), and three equivalent O(5) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the third Fe site, Fe(3) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the fourth Fe site, Fe(4) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 5-45°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), two equivalent Fe(3), and three equivalent Fe(4) atoms to form distorted OCaFe5 octahedra that share corners with two equivalent O(1)CaFe5 octahedra,  a cornercorner with one O(5)CaFe5 square pyramid,  a cornercorner with one O(3)Ca2Fe2 tetrahedra, corners with two equivalent O(2)Ca2Fe3 trigonal bipyramids, corners with two equivalent O(4)Ca2Fe3 trigonal bipyramids, edges with five equivalent O(1)CaFe5 octahedra, edges with two equivalent O(3)Ca2Fe2 tetrahedra, and edges with five equivalent O(2)Ca2Fe3 trigonal bipyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to two equivalent Ca(1), one Fe(3), and two equivalent Fe(4) atoms to form distorted OCa2Fe3 trigonal bipyramids that share corners with two equivalent O(1)CaFe5 octahedra, corners with two equivalent O(5)CaFe5 square pyramids, corners with four equivalent O(3)Ca2Fe2 tetrahedra,  a cornercorner with one O(2)Ca2Fe3 trigonal bipyramid, corners with two equivalent O(4)Ca2Fe3 trigonal bipyramids, edges with five equivalent O(1)CaFe5 octahedra,  an edgeedge with one O(3)Ca2Fe2 tetrahedra,  an edgeedge with one O(4)Ca2Fe3 trigonal bipyramid, and edges with two equivalent O(2)Ca2Fe3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 12°. In the third O site, O(3) is bonded to two equivalent Ca(1), one Fe(1), and one Fe(4) atom to form distorted OCa2Fe2 tetrahedra that share  a cornercorner with one O(1)CaFe5 octahedra,  a cornercorner with one O(6)Fe6 octahedra, corners with two equivalent O(3)Ca2Fe2 tetrahedra, corners with four equivalent O(2)Ca2Fe3 trigonal bipyramids, corners with four equivalent O(4)Ca2Fe3 trigonal bipyramids, edges with two equivalent O(1)CaFe5 octahedra, edges with two equivalent O(5)CaFe5 square pyramids,  an edgeedge with one O(2)Ca2Fe3 trigonal bipyramid, and  an edgeedge with one O(4)Ca2Fe3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-3°. In the fourth O site, O(4) is bonded to two equivalent Ca(1), one Fe(2), and two equivalent Fe(1) atoms to form distorted OCa2Fe3 trigonal bipyramids that share corners with two equivalent O(1)CaFe5 octahedra, corners with three equivalent O(5)CaFe5 square pyramids, corners with four equivalent O(3)Ca2Fe2 tetrahedra, corners with two equivalent O(2)Ca2Fe3 trigonal bipyramids, edges with two equivalent O(6)Fe6 octahedra, edges with three equivalent O(5)CaFe5 square pyramids,  an edgeedge with one O(3)Ca2Fe2 tetrahedra,  an edgeedge with one O(2)Ca2Fe3 trigonal bipyramid, and edges with two equivalent O(4)Ca2Fe3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 41°. In the fifth O site, O(5) is bonded to one Ca(1), two equivalent Fe(1), and three equivalent Fe(2) atoms to form distorted OCaFe5 square pyramids that share  a cornercorner with one O(1)CaFe5 octahedra, corners with two equivalent O(6)Fe6 octahedra, corners with two equivalent O(2)Ca2Fe3 trigonal bipyramids, corners with three equivalent O(4)Ca2Fe3 trigonal bipyramids, edges with three equivalent O(6)Fe6 octahedra, edges with four equivalent O(5)CaFe5 square pyramids, edges with two equivalent O(3)Ca2Fe2 tetrahedra, and edges with three equivalent O(4)Ca2Fe3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 4-50°. In the sixth O site, O(6) is bonded to two equivalent Fe(1) and four equivalent Fe(2) atoms to form OFe6 octahedra that share corners with four equivalent O(5)CaFe5 square pyramids, corners with two equivalent O(3)Ca2Fe2 tetrahedra, edges with two equivalent O(6)Fe6 octahedra, edges with six equivalent O(5)CaFe5 square pyramids, and edges with four equivalent O(4)Ca2Fe3 trigonal bipyramids. is represented by the CIF file [CIF]
data_Ca2Fe7O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.059
_cell_length_b   5.239
_cell_length_c   14.432
_cell_angle_alpha   99.810
_cell_angle_beta   90.000
_cell_angle_gamma   106.976
_symmetry_Int_Tables_number   1
_cell_volume   217.695
_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  0.579  0.158  0.724  1.0
  Ca  Ca1  1  0.421  0.842  0.276  1.0
  Fe  Fe2  1  0.639  0.277  0.147  1.0
  Fe  Fe3  1  0.361  0.723  0.853  1.0
  Fe  Fe4  1  0.876  0.752  0.049  1.0
  Fe  Fe5  1  0.124  0.248  0.951  1.0
  Fe  Fe6  1  0.000  0.000  0.500  1.0
  Fe  Fe7  1  0.292  0.584  0.599  1.0
  Fe  Fe8  1  0.708  0.416  0.401  1.0
  O  O9  1  0.349  0.697  0.456  1.0
  O  O10  1  0.651  0.303  0.544  1.0
  O  O11  1  0.062  0.124  0.378  1.0
  O  O12  1  0.938  0.876  0.622  1.0
  O  O13  1  0.748  0.495  0.273  1.0
  O  O14  1  0.252  0.505  0.727  1.0
  O  O15  1  0.006  0.012  0.171  1.0
  O  O16  1  0.994  0.988  0.829  1.0
  O  O17  1  0.247  0.495  0.087  1.0
  O  O18  1  0.500  0.000  0.000  1.0
  O  O19  1  0.753  0.505  0.913  1.0
[/CIF]
.
The crystal structure described by Ca2Fe7O11 crystallizes in the monoclinic C2/m space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(5), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 0-45°. In the second Fe site, Fe(2) is bonded to one O(4), two equivalent O(6), and three equivalent O(5) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the third Fe site, Fe(3) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the fourth Fe site, Fe(4) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 5-45°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), two equivalent Fe(3), and three equivalent Fe(4) atoms to form distorted OCaFe5 octahedra that share corners with two equivalent O(1)CaFe5 octahedra,  a cornercorner with one O(5)CaFe5 square pyramid,  a cornercorner with one O(3)Ca2Fe2 tetrahedra, corners with two equivalent O(2)Ca2Fe3 trigonal bipyramids, corners with two equivalent O(4)Ca2Fe3 trigonal bipyramids, edges with five equivalent O(1)CaFe5 octahedra, edges with two equivalent O(3)Ca2Fe2 tetrahedra, and edges with five equivalent O(2)Ca2Fe3 trigonal bipyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to two equivalent Ca(1), one Fe(3), and two equivalent Fe(4) atoms to form distorted OCa2Fe3 trigonal bipyramids that share corners with two equivalent O(1)CaFe5 octahedra, corners with two equivalent O(5)CaFe5 square pyramids, corners with four equivalent O(3)Ca2Fe2 tetrahedra,  a cornercorner with one O(2)Ca2Fe3 trigonal bipyramid, corners with two equivalent O(4)Ca2Fe3 trigonal bipyramids, edges with five equivalent O(1)CaFe5 octahedra,  an edgeedge with one O(3)Ca2Fe2 tetrahedra,  an edgeedge with one O(4)Ca2Fe3 trigonal bipyramid, and edges with two equivalent O(2)Ca2Fe3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 12°. In the third O site, O(3) is bonded to two equivalent Ca(1), one Fe(1), and one Fe(4) atom to form distorted OCa2Fe2 tetrahedra that share  a cornercorner with one O(1)CaFe5 octahedra,  a cornercorner with one O(6)Fe6 octahedra, corners with two equivalent O(3)Ca2Fe2 tetrahedra, corners with four equivalent O(2)Ca2Fe3 trigonal bipyramids, corners with four equivalent O(4)Ca2Fe3 trigonal bipyramids, edges with two equivalent O(1)CaFe5 octahedra, edges with two equivalent O(5)CaFe5 square pyramids,  an edgeedge with one O(2)Ca2Fe3 trigonal bipyramid, and  an edgeedge with one O(4)Ca2Fe3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-3°. In the fourth O site, O(4) is bonded to two equivalent Ca(1), one Fe(2), and two equivalent Fe(1) atoms to form distorted OCa2Fe3 trigonal bipyramids that share corners with two equivalent O(1)CaFe5 octahedra, corners with three equivalent O(5)CaFe5 square pyramids, corners with four equivalent O(3)Ca2Fe2 tetrahedra, corners with two equivalent O(2)Ca2Fe3 trigonal bipyramids, edges with two equivalent O(6)Fe6 octahedra, edges with three equivalent O(5)CaFe5 square pyramids,  an edgeedge with one O(3)Ca2Fe2 tetrahedra,  an edgeedge with one O(2)Ca2Fe3 trigonal bipyramid, and edges with two equivalent O(4)Ca2Fe3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 41°. In the fifth O site, O(5) is bonded to one Ca(1), two equivalent Fe(1), and three equivalent Fe(2) atoms to form distorted OCaFe5 square pyramids that share  a cornercorner with one O(1)CaFe5 octahedra, corners with two equivalent O(6)Fe6 octahedra, corners with two equivalent O(2)Ca2Fe3 trigonal bipyramids, corners with three equivalent O(4)Ca2Fe3 trigonal bipyramids, edges with three equivalent O(6)Fe6 octahedra, edges with four equivalent O(5)CaFe5 square pyramids, edges with two equivalent O(3)Ca2Fe2 tetrahedra, and edges with three equivalent O(4)Ca2Fe3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 4-50°. In the sixth O site, O(6) is bonded to two equivalent Fe(1) and four equivalent Fe(2) atoms to form OFe6 octahedra that share corners with four equivalent O(5)CaFe5 square pyramids, corners with two equivalent O(3)Ca2Fe2 tetrahedra, edges with two equivalent O(6)Fe6 octahedra, edges with six equivalent O(5)CaFe5 square pyramids, and edges with four equivalent O(4)Ca2Fe3 trigonal bipyramids. is represented by the CIF file [CIF]
data_Ca2Fe7O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.059
_cell_length_b   5.239
_cell_length_c   14.432
_cell_angle_alpha   99.810
_cell_angle_beta   90.000
_cell_angle_gamma   106.976
_symmetry_Int_Tables_number   1
_cell_volume   217.695
_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  0.579  0.158  0.724  1.0
  Ca  Ca1  1  0.421  0.842  0.276  1.0
  Fe  Fe2  1  0.639  0.277  0.147  1.0
  Fe  Fe3  1  0.361  0.723  0.853  1.0
  Fe  Fe4  1  0.876  0.752  0.049  1.0
  Fe  Fe5  1  0.124  0.248  0.951  1.0
  Fe  Fe6  1  0.000  0.000  0.500  1.0
  Fe  Fe7  1  0.292  0.584  0.599  1.0
  Fe  Fe8  1  0.708  0.416  0.401  1.0
  O  O9  1  0.349  0.697  0.456  1.0
  O  O10  1  0.651  0.303  0.544  1.0
  O  O11  1  0.062  0.124  0.378  1.0
  O  O12  1  0.938  0.876  0.622  1.0
  O  O13  1  0.748  0.495  0.273  1.0
  O  O14  1  0.252  0.505  0.727  1.0
  O  O15  1  0.006  0.012  0.171  1.0
  O  O16  1  0.994  0.988  0.829  1.0
  O  O17  1  0.247  0.495  0.087  1.0
  O  O18  1  0.500  0.000  0.000  1.0
  O  O19  1  0.753  0.505  0.913  1.0
[/CIF]
.