The compound described by Ca2Fe9O13 crystallizes in the monoclinic C2/m space group. Ca(1) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(6) and four equivalent O(7) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 8°. In the second Fe site, Fe(2) is bonded to one O(4), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the third Fe site, Fe(3) is bonded to one O(5), two equivalent O(6), and three equivalent O(7) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 8°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fifth Fe site, Fe(5) is bonded in a 6-coordinate geometry to one O(2), one O(7), two equivalent O(5), and two equivalent O(6) atoms. There are seven inequivalent O sites. In the first O site, O(7) is bonded to one Fe(5), two equivalent Fe(1), and three equivalent Fe(3) atoms to form OFe6 octahedra that share corners with two equivalent O(7)Fe6 octahedra, corners with two equivalent O(6)Fe5 square pyramids,  a cornercorner with one O(2)Ca2Fe2 tetrahedra,  a cornercorner with one O(5)Ca2Fe3 trigonal bipyramid, edges with five equivalent O(7)Fe6 octahedra, edges with five equivalent O(6)Fe5 square pyramids, and edges with two equivalent O(5)Ca2Fe3 trigonal bipyramids. The corner-sharing octahedra are not tilted. In the second O site, O(1) is bonded to two equivalent Fe(4) and four equivalent Fe(2) atoms to form OFe6 octahedra that share corners with four equivalent O(3)CaFe5 octahedra, corners with two equivalent O(2)Ca2Fe2 tetrahedra, edges with two equivalent O(1)Fe6 octahedra, edges with six equivalent O(3)CaFe5 octahedra, and edges with four equivalent O(4)Ca2Fe3 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the third O site, O(2) is bonded to two equivalent Ca(1), one Fe(4), and one Fe(5) atom to form distorted OCa2Fe2 tetrahedra that share  a cornercorner with one O(1)Fe6 octahedra,  a cornercorner with one O(7)Fe6 octahedra, corners with two equivalent O(6)Fe5 square pyramids, corners with four equivalent O(4)Ca2Fe3 square pyramids, corners with two equivalent O(2)Ca2Fe2 tetrahedra, corners with four equivalent O(5)Ca2Fe3 trigonal bipyramids, edges with two equivalent O(3)CaFe5 octahedra,  an edgeedge with one O(4)Ca2Fe3 square pyramid, and  an edgeedge with one O(5)Ca2Fe3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 1-4°. In the fourth O site, O(3) is bonded to one Ca(1), two equivalent Fe(4), and three equivalent Fe(2) atoms to form distorted OCaFe5 octahedra that share corners with two equivalent O(1)Fe6 octahedra, corners with three equivalent O(4)Ca2Fe3 square pyramids, corners with two equivalent O(5)Ca2Fe3 trigonal bipyramids, edges with three equivalent O(1)Fe6 octahedra, edges with four equivalent O(3)CaFe5 octahedra, edges with three equivalent O(4)Ca2Fe3 square pyramids, and edges with two equivalent O(2)Ca2Fe2 tetrahedra. The corner-sharing octahedral tilt angles are 4°. In the fifth O site, O(4) is bonded to two equivalent Ca(1), one Fe(2), and two equivalent Fe(4) atoms to form distorted OCa2Fe3 square pyramids that share corners with three equivalent O(3)CaFe5 octahedra, corners with four equivalent O(2)Ca2Fe2 tetrahedra, corners with two equivalent O(5)Ca2Fe3 trigonal bipyramids, edges with two equivalent O(1)Fe6 octahedra, edges with three equivalent O(3)CaFe5 octahedra, edges with two equivalent O(4)Ca2Fe3 square pyramids,  an edgeedge with one O(2)Ca2Fe2 tetrahedra, and  an edgeedge with one O(5)Ca2Fe3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 8-11°. In the sixth O site, O(5) is bonded to two equivalent Ca(1), one Fe(3), and two equivalent Fe(5) atoms to form distorted OCa2Fe3 trigonal bipyramids that share  a cornercorner with one O(7)Fe6 octahedra, corners with two equivalent O(3)CaFe5 octahedra, corners with two equivalent O(4)Ca2Fe3 square pyramids, corners with four equivalent O(6)Fe5 square pyramids, corners with four equivalent O(2)Ca2Fe2 tetrahedra, edges with two equivalent O(7)Fe6 octahedra,  an edgeedge with one O(4)Ca2Fe3 square pyramid,  an edgeedge with one O(6)Fe5 square pyramid,  an edgeedge with one O(2)Ca2Fe2 tetrahedra, and edges with two equivalent O(5)Ca2Fe3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 3-40°. In the seventh O site, O(6) is bonded to one Fe(1), two equivalent Fe(3), and two equivalent Fe(5) atoms to form distorted OFe5 square pyramids that share corners with two equivalent O(7)Fe6 octahedra,  a cornercorner with one O(6)Fe5 square pyramid, corners with two equivalent O(2)Ca2Fe2 tetrahedra, corners with four equivalent O(5)Ca2Fe3 trigonal bipyramids, edges with five equivalent O(7)Fe6 octahedra, edges with two equivalent O(6)Fe5 square pyramids, and  an edgeedge with one O(5)Ca2Fe3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 9°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2Fe9O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.386
_cell_length_b   5.386
_cell_length_c   17.034
_cell_angle_alpha   81.575
_cell_angle_beta   81.575
_cell_angle_gamma   33.018
_symmetry_Int_Tables_number   1
_cell_volume   266.066
_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  0.787  0.787  0.228  1.0
  Ca  Ca1  1  0.213  0.213  0.772  1.0
  Fe  Fe2  1  0.500  0.500  0.500  1.0
  Fe  Fe3  1  0.355  0.355  0.040  1.0
  Fe  Fe4  1  0.645  0.645  0.960  1.0
  Fe  Fe5  1  0.248  0.248  0.418  1.0
  Fe  Fe6  1  0.752  0.752  0.582  1.0
  Fe  Fe7  1  0.065  0.065  0.122  1.0
  Fe  Fe8  1  0.935  0.935  0.878  1.0
  Fe  Fe9  1  0.007  0.007  0.332  1.0
  Fe  Fe10  1  0.993  0.993  0.668  1.0
  O  O11  1  0.000  0.000  0.000  1.0
  O  O12  1  0.120  0.120  0.228  1.0
  O  O13  1  0.880  0.880  0.772  1.0
  O  O14  1  0.695  0.695  0.077  1.0
  O  O15  1  0.305  0.305  0.923  1.0
  O  O16  1  0.430  0.430  0.145  1.0
  O  O17  1  0.570  0.570  0.855  1.0
  O  O18  1  0.375  0.375  0.317  1.0
  O  O19  1  0.625  0.625  0.683  1.0
  O  O20  1  0.607  0.607  0.390  1.0
  O  O21  1  0.393  0.393  0.610  1.0
  O  O22  1  0.880  0.880  0.469  1.0
  O  O23  1  0.120  0.120  0.531  1.0
[/CIF]
.
The compound described by Ca2Fe9O13 crystallizes in the monoclinic C2/m space group. Ca(1) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(6) and four equivalent O(7) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 8°. In the second Fe site, Fe(2) is bonded to one O(4), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the third Fe site, Fe(3) is bonded to one O(5), two equivalent O(6), and three equivalent O(7) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 8°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fifth Fe site, Fe(5) is bonded in a 6-coordinate geometry to one O(2), one O(7), two equivalent O(5), and two equivalent O(6) atoms. There are seven inequivalent O sites. In the first O site, O(7) is bonded to one Fe(5), two equivalent Fe(1), and three equivalent Fe(3) atoms to form OFe6 octahedra that share corners with two equivalent O(7)Fe6 octahedra, corners with two equivalent O(6)Fe5 square pyramids,  a cornercorner with one O(2)Ca2Fe2 tetrahedra,  a cornercorner with one O(5)Ca2Fe3 trigonal bipyramid, edges with five equivalent O(7)Fe6 octahedra, edges with five equivalent O(6)Fe5 square pyramids, and edges with two equivalent O(5)Ca2Fe3 trigonal bipyramids. The corner-sharing octahedra are not tilted. In the second O site, O(1) is bonded to two equivalent Fe(4) and four equivalent Fe(2) atoms to form OFe6 octahedra that share corners with four equivalent O(3)CaFe5 octahedra, corners with two equivalent O(2)Ca2Fe2 tetrahedra, edges with two equivalent O(1)Fe6 octahedra, edges with six equivalent O(3)CaFe5 octahedra, and edges with four equivalent O(4)Ca2Fe3 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the third O site, O(2) is bonded to two equivalent Ca(1), one Fe(4), and one Fe(5) atom to form distorted OCa2Fe2 tetrahedra that share  a cornercorner with one O(1)Fe6 octahedra,  a cornercorner with one O(7)Fe6 octahedra, corners with two equivalent O(6)Fe5 square pyramids, corners with four equivalent O(4)Ca2Fe3 square pyramids, corners with two equivalent O(2)Ca2Fe2 tetrahedra, corners with four equivalent O(5)Ca2Fe3 trigonal bipyramids, edges with two equivalent O(3)CaFe5 octahedra,  an edgeedge with one O(4)Ca2Fe3 square pyramid, and  an edgeedge with one O(5)Ca2Fe3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 1-4°. In the fourth O site, O(3) is bonded to one Ca(1), two equivalent Fe(4), and three equivalent Fe(2) atoms to form distorted OCaFe5 octahedra that share corners with two equivalent O(1)Fe6 octahedra, corners with three equivalent O(4)Ca2Fe3 square pyramids, corners with two equivalent O(5)Ca2Fe3 trigonal bipyramids, edges with three equivalent O(1)Fe6 octahedra, edges with four equivalent O(3)CaFe5 octahedra, edges with three equivalent O(4)Ca2Fe3 square pyramids, and edges with two equivalent O(2)Ca2Fe2 tetrahedra. The corner-sharing octahedral tilt angles are 4°. In the fifth O site, O(4) is bonded to two equivalent Ca(1), one Fe(2), and two equivalent Fe(4) atoms to form distorted OCa2Fe3 square pyramids that share corners with three equivalent O(3)CaFe5 octahedra, corners with four equivalent O(2)Ca2Fe2 tetrahedra, corners with two equivalent O(5)Ca2Fe3 trigonal bipyramids, edges with two equivalent O(1)Fe6 octahedra, edges with three equivalent O(3)CaFe5 octahedra, edges with two equivalent O(4)Ca2Fe3 square pyramids,  an edgeedge with one O(2)Ca2Fe2 tetrahedra, and  an edgeedge with one O(5)Ca2Fe3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 8-11°. In the sixth O site, O(5) is bonded to two equivalent Ca(1), one Fe(3), and two equivalent Fe(5) atoms to form distorted OCa2Fe3 trigonal bipyramids that share  a cornercorner with one O(7)Fe6 octahedra, corners with two equivalent O(3)CaFe5 octahedra, corners with two equivalent O(4)Ca2Fe3 square pyramids, corners with four equivalent O(6)Fe5 square pyramids, corners with four equivalent O(2)Ca2Fe2 tetrahedra, edges with two equivalent O(7)Fe6 octahedra,  an edgeedge with one O(4)Ca2Fe3 square pyramid,  an edgeedge with one O(6)Fe5 square pyramid,  an edgeedge with one O(2)Ca2Fe2 tetrahedra, and edges with two equivalent O(5)Ca2Fe3 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 3-40°. In the seventh O site, O(6) is bonded to one Fe(1), two equivalent Fe(3), and two equivalent Fe(5) atoms to form distorted OFe5 square pyramids that share corners with two equivalent O(7)Fe6 octahedra,  a cornercorner with one O(6)Fe5 square pyramid, corners with two equivalent O(2)Ca2Fe2 tetrahedra, corners with four equivalent O(5)Ca2Fe3 trigonal bipyramids, edges with five equivalent O(7)Fe6 octahedra, edges with two equivalent O(6)Fe5 square pyramids, and  an edgeedge with one O(5)Ca2Fe3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 9°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2Fe9O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.386
_cell_length_b   5.386
_cell_length_c   17.034
_cell_angle_alpha   81.575
_cell_angle_beta   81.575
_cell_angle_gamma   33.018
_symmetry_Int_Tables_number   1
_cell_volume   266.066
_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  0.787  0.787  0.228  1.0
  Ca  Ca1  1  0.213  0.213  0.772  1.0
  Fe  Fe2  1  0.500  0.500  0.500  1.0
  Fe  Fe3  1  0.355  0.355  0.040  1.0
  Fe  Fe4  1  0.645  0.645  0.960  1.0
  Fe  Fe5  1  0.248  0.248  0.418  1.0
  Fe  Fe6  1  0.752  0.752  0.582  1.0
  Fe  Fe7  1  0.065  0.065  0.122  1.0
  Fe  Fe8  1  0.935  0.935  0.878  1.0
  Fe  Fe9  1  0.007  0.007  0.332  1.0
  Fe  Fe10  1  0.993  0.993  0.668  1.0
  O  O11  1  0.000  0.000  0.000  1.0
  O  O12  1  0.120  0.120  0.228  1.0
  O  O13  1  0.880  0.880  0.772  1.0
  O  O14  1  0.695  0.695  0.077  1.0
  O  O15  1  0.305  0.305  0.923  1.0
  O  O16  1  0.430  0.430  0.145  1.0
  O  O17  1  0.570  0.570  0.855  1.0
  O  O18  1  0.375  0.375  0.317  1.0
  O  O19  1  0.625  0.625  0.683  1.0
  O  O20  1  0.607  0.607  0.390  1.0
  O  O21  1  0.393  0.393  0.610  1.0
  O  O22  1  0.880  0.880  0.469  1.0
  O  O23  1  0.120  0.120  0.531  1.0
[/CIF]
.