The structure described by Ca(Fe9O13)2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(15), one O(16), one O(3), and one O(4) atom. There are eighteen inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(19), one O(21), one O(23), one O(24), one O(25), and one O(26) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. In the second Fe site, Fe(2) is bonded to one O(20), one O(22), one O(23), one O(24), one O(25), and one O(26) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 10-16°. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(2), one O(7), one O(8), and one O(9) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 6-17°. In the fourth Fe site, Fe(4) 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 a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(10), one O(13), one O(2), one O(7), and one O(9) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(10), one O(14), one O(2), one O(8), and one O(9) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the seventh Fe site, Fe(7) is bonded to one O(15), one O(19), one O(20), one O(23), one O(24), and one O(25) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 14-16°. In the eighth Fe site, Fe(8) is bonded to one O(16), one O(19), one O(20), one O(23), one O(24), and one O(26) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 13-15°. In the ninth Fe site, Fe(9) is bonded to one O(17), one O(21), one O(22), one O(23), one O(25), and one O(26) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the tenth Fe site, Fe(10) is bonded to one O(18), one O(21), one O(22), one O(24), one O(25), and one O(26) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the eleventh Fe site, Fe(11) is bonded to one O(11), one O(12), one O(2), one O(3), one O(7), and one O(8) atom to form a mixture of distorted corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 12-16°. In the twelfth Fe site, Fe(12) is bonded to one O(1), one O(11), one O(12), one O(4), one O(7), and one O(8) atom to form a mixture of distorted corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 13-17°. In the thirteenth Fe site, Fe(13) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(13), one O(14), one O(5), and one O(9) atom. In the fourteenth Fe site, Fe(14) is bonded in a 6-coordinate geometry to one O(10), one O(13), one O(14), one O(2), one O(6), and one O(9) atom. In the fifteenth Fe site, Fe(15) is bonded in a 5-coordinate geometry to one O(15), one O(16), one O(19), one O(20), and one O(3) atom. In the sixteenth Fe site, Fe(16) is bonded in a 5-coordinate geometry to one O(15), one O(16), one O(19), one O(20), and one O(4) atom. In the seventeenth Fe site, Fe(17) is bonded in a 5-coordinate geometry to one O(17), one O(18), one O(21), one O(22), and one O(5) atom. In the eighteenth Fe site, Fe(18) is bonded in a 5-coordinate geometry to one O(17), one O(18), one O(21), one O(22), and one O(6) atom. There are twenty-six inequivalent O sites. In the first O site, O(1) is bonded to one Fe(12), one Fe(13), one Fe(3), one Fe(4), one Fe(5), and one Fe(6) atom to form distorted OFe6 octahedra that share corners with two equivalent O(8)Fe5 square pyramids, corners with two equivalent O(9)Fe5 square pyramids, edges with two equivalent O(2)Fe6 octahedra,  an edgeedge with one O(8)Fe5 square pyramid,  an edgeedge with one O(9)Fe5 square pyramid, edges with two equivalent O(10)Fe5 square pyramids, edges with two equivalent O(7)Fe5 square pyramids,  an edgeedge with one O(11)CaFe3 tetrahedra, and  an edgeedge with one O(12)CaFe3 tetrahedra. In the second O site, O(2) is bonded to one Fe(11), one Fe(14), one Fe(3), one Fe(4), one Fe(5), and one Fe(6) atom to form distorted OFe6 octahedra that share corners with two equivalent O(10)Fe5 square pyramids, corners with two equivalent O(7)Fe5 square pyramids, edges with two equivalent O(1)Fe6 octahedra,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(7)Fe5 square pyramid, edges with two equivalent O(8)Fe5 square pyramids, edges with two equivalent O(9)Fe5 square pyramids,  an edgeedge with one O(11)CaFe3 tetrahedra, and  an edgeedge with one O(12)CaFe3 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Fe(11), and one Fe(15) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Ca(1), one Fe(12), and one Fe(16) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(13) and one Fe(17) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Fe(14) and one Fe(18) atom. In the seventh O site, O(7) is bonded to one Fe(11), one Fe(12), one Fe(3), one Fe(4), and one Fe(5) atom to form OFe5 square pyramids that share corners with two equivalent O(2)Fe6 octahedra,  a cornercorner with one O(11)CaFe3 tetrahedra, corners with three equivalent O(12)CaFe3 tetrahedra,  an edgeedge with one O(2)Fe6 octahedra, edges with two equivalent O(1)Fe6 octahedra,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(9)Fe5 square pyramid, edges with two equivalent O(8)Fe5 square pyramids, and  an edgeedge with one O(11)CaFe3 tetrahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the eighth O site, O(8) is bonded to one Fe(11), one Fe(12), one Fe(3), one Fe(4), and one Fe(6) atom to form distorted OFe5 square pyramids that share corners with two equivalent O(1)Fe6 octahedra,  a cornercorner with one O(12)CaFe3 tetrahedra, corners with three equivalent O(11)CaFe3 tetrahedra,  an edgeedge with one O(1)Fe6 octahedra, edges with two equivalent O(2)Fe6 octahedra,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(9)Fe5 square pyramid, edges with two equivalent O(7)Fe5 square pyramids, and  an edgeedge with one O(12)CaFe3 tetrahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the ninth O site, O(9) is bonded to one Fe(13), one Fe(14), one Fe(3), one Fe(5), and one Fe(6) atom to form OFe5 square pyramids that share corners with two equivalent O(1)Fe6 octahedra,  a cornercorner with one O(11)CaFe3 tetrahedra,  an edgeedge with one O(1)Fe6 octahedra, edges with two equivalent O(2)Fe6 octahedra,  an edgeedge with one O(7)Fe5 square pyramid,  an edgeedge with one O(8)Fe5 square pyramid, and edges with two equivalent O(10)Fe5 square pyramids. The corner-sharing octahedral tilt angles range from 10-12°. In the tenth O site, O(10) is bonded to one Fe(13), one Fe(14), one Fe(4), one Fe(5), and one Fe(6) atom to form OFe5 square pyramids that share corners with two equivalent O(2)Fe6 octahedra,  a cornercorner with one O(12)CaFe3 tetrahedra,  an edgeedge with one O(2)Fe6 octahedra, edges with two equivalent O(1)Fe6 octahedra,  an edgeedge with one O(7)Fe5 square pyramid,  an edgeedge with one O(8)Fe5 square pyramid, and edges with two equivalent O(9)Fe5 square pyramids. The corner-sharing octahedral tilt angles range from 11-13°. In the eleventh O site, O(11) is bonded to one Ca(1), one Fe(11), one Fe(12), and one Fe(3) atom to form distorted OCaFe3 tetrahedra that share  a cornercorner with one O(7)Fe5 square pyramid,  a cornercorner with one O(9)Fe5 square pyramid, corners with three equivalent O(8)Fe5 square pyramids,  a cornercorner with one O(12)CaFe3 tetrahedra,  a cornercorner with one O(15)CaFe3 tetrahedra,  a cornercorner with one O(16)CaFe3 tetrahedra,  an edgeedge with one O(1)Fe6 octahedra,  an edgeedge with one O(2)Fe6 octahedra,  an edgeedge with one O(7)Fe5 square pyramid, and  an edgeedge with one O(12)CaFe3 tetrahedra. In the twelfth O site, O(12) is bonded to one Ca(1), one Fe(11), one Fe(12), and one Fe(4) atom to form OCaFe3 tetrahedra that share  a cornercorner with one O(10)Fe5 square pyramid,  a cornercorner with one O(8)Fe5 square pyramid, corners with three equivalent O(7)Fe5 square pyramids,  a cornercorner with one O(11)CaFe3 tetrahedra,  a cornercorner with one O(15)CaFe3 tetrahedra,  a cornercorner with one O(16)CaFe3 tetrahedra,  an edgeedge with one O(1)Fe6 octahedra,  an edgeedge with one O(2)Fe6 octahedra,  an edgeedge with one O(8)Fe5 square pyramid, and  an edgeedge with one O(11)CaFe3 tetrahedra. In the thirteenth O site, O(13) is bonded in a trigonal non-coplanar geometry to one Fe(13), one Fe(14), and one Fe(5) atom. In the fourteenth O site, O(14) is bonded in a trigonal non-coplanar geometry to one Fe(13), one Fe(14), and one Fe(6) atom. In the fifteenth O site, O(15) is bonded to one Ca(1), one Fe(15), one Fe(16), and one Fe(7) atom to form OCaFe3 tetrahedra that share  a cornercorner with one O(23)Fe5 square pyramid,  a cornercorner with one O(24)Fe5 square pyramid,  a cornercorner with one O(25)Fe5 square pyramid, corners with three equivalent O(20)Fe5 square pyramids,  a cornercorner with one O(11)CaFe3 tetrahedra,  a cornercorner with one O(12)CaFe3 tetrahedra,  a cornercorner with one O(16)CaFe3 tetrahedra,  a cornercorner with one O(19)Fe5 trigonal bipyramid,  an edgeedge with one O(16)CaFe3 tetrahedra, and  an edgeedge with one O(19)Fe5 trigonal bipyramid. In the sixteenth O site, O(16) is bonded to one Ca(1), one Fe(15), one Fe(16), and one Fe(8) atom to form OCaFe3 tetrahedra that share  a cornercorner with one O(20)Fe5 square pyramid,  a cornercorner with one O(23)Fe5 square pyramid,  a cornercorner with one O(24)Fe5 square pyramid,  a cornercorner with one O(26)Fe5 square pyramid,  a cornercorner with one O(11)CaFe3 tetrahedra,  a cornercorner with one O(12)CaFe3 tetrahedra,  a cornercorner with one O(15)CaFe3 tetrahedra, corners with three equivalent O(19)Fe5 trigonal bipyramids,  an edgeedge with one O(20)Fe5 square pyramid, and  an edgeedge with one O(15)CaFe3 tetrahedra. In the seventeenth O site, O(17) is bonded in a trigonal non-coplanar geometry to one Fe(17), one Fe(18), and one Fe(9) atom. In the eighteenth O site, O(18) is bonded in a trigonal non-coplanar geometry to one Fe(10), one Fe(17), and one Fe(18) atom. In the nineteenth O site, O(19) is bonded to one Fe(1), one Fe(15), one Fe(16), one Fe(7), and one Fe(8) atom to form distorted OFe5 trigonal bipyramids that share  a cornercorner with one O(21)Fe5 square pyramid,  a cornercorner with one O(23)Fe5 square pyramid, corners with three equivalent O(24)Fe5 square pyramids,  a cornercorner with one O(15)CaFe3 tetrahedra, corners with three equivalent O(16)CaFe3 tetrahedra,  an edgeedge with one O(23)Fe5 square pyramid,  an edgeedge with one O(25)Fe5 square pyramid,  an edgeedge with one O(26)Fe5 square pyramid, edges with two equivalent O(20)Fe5 square pyramids, and  an edgeedge with one O(15)CaFe3 tetrahedra. In the twentieth O site, O(20) is bonded to one Fe(15), one Fe(16), one Fe(2), one Fe(7), and one Fe(8) atom to form distorted OFe5 square pyramids that share  a cornercorner with one O(22)Fe5 square pyramid,  a cornercorner with one O(24)Fe5 square pyramid, corners with three equivalent O(23)Fe5 square pyramids,  a cornercorner with one O(16)CaFe3 tetrahedra, corners with three equivalent O(15)CaFe3 tetrahedra,  an edgeedge with one O(24)Fe5 square pyramid,  an edgeedge with one O(25)Fe5 square pyramid,  an edgeedge with one O(26)Fe5 square pyramid,  an edgeedge with one O(16)CaFe3 tetrahedra, and edges with two equivalent O(19)Fe5 trigonal bipyramids. In the twenty-first O site, O(21) is bonded to one Fe(1), one Fe(10), one Fe(17), one Fe(18), and one Fe(9) atom to form a mixture of corner and edge-sharing OFe5 square pyramids. In the twenty-second O site, O(22) is bonded to one Fe(10), one Fe(17), one Fe(18), one Fe(2), and one Fe(9) atom to form a mixture of corner and edge-sharing OFe5 square pyramids. In the twenty-third O site, O(23) is bonded to one Fe(1), one Fe(2), one Fe(7), one Fe(8), and one Fe(9) atom to form distorted OFe5 square pyramids that share corners with two equivalent O(25)Fe5 square pyramids, corners with three equivalent O(20)Fe5 square pyramids,  a cornercorner with one O(15)CaFe3 tetrahedra,  a cornercorner with one O(16)CaFe3 tetrahedra,  a cornercorner with one O(19)Fe5 trigonal bipyramid,  an edgeedge with one O(21)Fe5 square pyramid,  an edgeedge with one O(22)Fe5 square pyramid,  an edgeedge with one O(25)Fe5 square pyramid, edges with two equivalent O(24)Fe5 square pyramids, edges with two equivalent O(26)Fe5 square pyramids, and  an edgeedge with one O(19)Fe5 trigonal bipyramid. In the twenty-fourth O site, O(24) is bonded to one Fe(1), one Fe(10), one Fe(2), one Fe(7), and one Fe(8) atom to form distorted OFe5 square pyramids that share  a cornercorner with one O(20)Fe5 square pyramid, corners with two equivalent O(26)Fe5 square pyramids,  a cornercorner with one O(15)CaFe3 tetrahedra,  a cornercorner with one O(16)CaFe3 tetrahedra, corners with three equivalent O(19)Fe5 trigonal bipyramids,  an edgeedge with one O(20)Fe5 square pyramid,  an edgeedge with one O(21)Fe5 square pyramid,  an edgeedge with one O(22)Fe5 square pyramid,  an edgeedge with one O(26)Fe5 square pyramid, edges with two equivalent O(23)Fe5 square pyramids, and edges with two equivalent O(25)Fe5 square pyramids. In the twenty-fifth O site, O(25) is bonded to one Fe(1), one Fe(10), one Fe(2), one Fe(7), and one Fe(9) atom to form distorted OFe5 square pyramids that share  a cornercorner with one O(21)Fe5 square pyramid, corners with two equivalent O(23)Fe5 square pyramids, corners with three equivalent O(22)Fe5 square pyramids,  a cornercorner with one O(15)CaFe3 tetrahedra,  an edgeedge with one O(20)Fe5 square pyramid,  an edgeedge with one O(21)Fe5 square pyramid,  an edgeedge with one O(23)Fe5 square pyramid, edges with two equivalent O(24)Fe5 square pyramids, edges with two equivalent O(26)Fe5 square pyramids, and  an edgeedge with one O(19)Fe5 trigonal bipyramid. In the twenty-sixth O site, O(26) is bonded to one Fe(1), one Fe(10), one Fe(2), one Fe(8), and one Fe(9) atom to form distorted OFe5 square pyramids that share  a cornercorner with one O(22)Fe5 square pyramid, corners with two equivalent O(24)Fe5 square pyramids, corners with three equivalent O(21)Fe5 square pyramids,  a cornercorner with one O(16)CaFe3 tetrahedra,  an edgeedge with one O(20)Fe5 square pyramid,  an edgeedge with one O(22)Fe5 square pyramid,  an edgeedge with one O(24)Fe5 square pyramid, edges with two equivalent O(23)Fe5 square pyramids, edges with two equivalent O(25)Fe5 square pyramids, and  an edgeedge with one O(19)Fe5 trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(Fe9O13)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.262
_cell_length_b   5.998
_cell_length_c   17.492
_cell_angle_alpha   90.000
_cell_angle_beta   98.070
_cell_angle_gamma   106.612
_symmetry_Int_Tables_number   1
_cell_volume   523.337
_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  0.585  0.393  0.771  1.0
  Fe  Fe1  1  0.995  0.750  0.500  1.0
  Fe  Fe2  1  0.008  0.252  0.500  1.0
  Fe  Fe3  1  0.716  0.680  0.959  1.0
  Fe  Fe4  1  0.708  0.176  0.958  1.0
  Fe  Fe5  1  0.289  0.822  0.043  1.0
  Fe  Fe6  1  0.292  0.323  0.044  1.0
  Fe  Fe7  1  0.506  0.628  0.583  1.0
  Fe  Fe8  1  0.503  0.123  0.583  1.0
  Fe  Fe9  1  0.498  0.876  0.416  1.0
  Fe  Fe10  1  0.500  0.374  0.418  1.0
  Fe  Fe11  1  0.149  0.539  0.877  1.0
  Fe  Fe12  1  0.112  0.025  0.870  1.0
  Fe  Fe13  1  0.870  0.968  0.134  1.0
  Fe  Fe14  1  0.875  0.470  0.135  1.0
  Fe  Fe15  1  0.043  0.513  0.671  1.0
  Fe  Fe16  1  0.008  0.002  0.676  1.0
  Fe  Fe17  1  0.981  0.996  0.323  1.0
  Fe  Fe18  1  0.980  0.495  0.324  1.0
  O  O19  1  0.013  0.014  0.996  1.0
  O  O20  1  0.024  0.497  0.998  1.0
  O  O21  1  0.228  0.546  0.774  1.0
  O  O22  1  0.228  0.062  0.772  1.0
  O  O23  1  0.766  0.941  0.229  1.0
  O  O24  1  0.768  0.443  0.229  1.0
  O  O25  1  0.405  0.862  0.932  1.0
  O  O26  1  0.413  0.342  0.928  1.0
  O  O27  1  0.579  0.645  0.068  1.0
  O  O28  1  0.583  0.147  0.067  1.0
  O  O29  1  0.871  0.705  0.860  1.0
  O  O30  1  0.863  0.224  0.863  1.0
  O  O31  1  0.120  0.782  0.133  1.0
  O  O32  1  0.120  0.279  0.135  1.0
  O  O33  1  0.770  0.681  0.680  1.0
  O  O34  1  0.770  0.204  0.679  1.0
  O  O35  1  0.230  0.807  0.326  1.0
  O  O36  1  0.231  0.308  0.329  1.0
  O  O37  1  0.204  0.803  0.608  1.0
  O  O38  1  0.221  0.304  0.615  1.0
  O  O39  1  0.763  0.692  0.391  1.0
  O  O40  1  0.756  0.190  0.390  1.0
  O  O41  1  0.745  0.928  0.526  1.0
  O  O42  1  0.739  0.444  0.524  1.0
  O  O43  1  0.271  0.579  0.467  1.0
  O  O44  1  0.277  0.059  0.468  1.0
[/CIF]
.
The structure described by Ca(Fe9O13)2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(15), one O(16), one O(3), and one O(4) atom. There are eighteen inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(19), one O(21), one O(23), one O(24), one O(25), and one O(26) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. In the second Fe site, Fe(2) is bonded to one O(20), one O(22), one O(23), one O(24), one O(25), and one O(26) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 10-16°. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(2), one O(7), one O(8), and one O(9) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 6-17°. In the fourth Fe site, Fe(4) 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 a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(10), one O(13), one O(2), one O(7), and one O(9) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the sixth Fe site, Fe(6) is bonded to one O(1), one O(10), one O(14), one O(2), one O(8), and one O(9) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the seventh Fe site, Fe(7) is bonded to one O(15), one O(19), one O(20), one O(23), one O(24), and one O(25) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 14-16°. In the eighth Fe site, Fe(8) is bonded to one O(16), one O(19), one O(20), one O(23), one O(24), and one O(26) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 13-15°. In the ninth Fe site, Fe(9) is bonded to one O(17), one O(21), one O(22), one O(23), one O(25), and one O(26) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the tenth Fe site, Fe(10) is bonded to one O(18), one O(21), one O(22), one O(24), one O(25), and one O(26) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the eleventh Fe site, Fe(11) is bonded to one O(11), one O(12), one O(2), one O(3), one O(7), and one O(8) atom to form a mixture of distorted corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 12-16°. In the twelfth Fe site, Fe(12) is bonded to one O(1), one O(11), one O(12), one O(4), one O(7), and one O(8) atom to form a mixture of distorted corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 13-17°. In the thirteenth Fe site, Fe(13) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(13), one O(14), one O(5), and one O(9) atom. In the fourteenth Fe site, Fe(14) is bonded in a 6-coordinate geometry to one O(10), one O(13), one O(14), one O(2), one O(6), and one O(9) atom. In the fifteenth Fe site, Fe(15) is bonded in a 5-coordinate geometry to one O(15), one O(16), one O(19), one O(20), and one O(3) atom. In the sixteenth Fe site, Fe(16) is bonded in a 5-coordinate geometry to one O(15), one O(16), one O(19), one O(20), and one O(4) atom. In the seventeenth Fe site, Fe(17) is bonded in a 5-coordinate geometry to one O(17), one O(18), one O(21), one O(22), and one O(5) atom. In the eighteenth Fe site, Fe(18) is bonded in a 5-coordinate geometry to one O(17), one O(18), one O(21), one O(22), and one O(6) atom. There are twenty-six inequivalent O sites. In the first O site, O(1) is bonded to one Fe(12), one Fe(13), one Fe(3), one Fe(4), one Fe(5), and one Fe(6) atom to form distorted OFe6 octahedra that share corners with two equivalent O(8)Fe5 square pyramids, corners with two equivalent O(9)Fe5 square pyramids, edges with two equivalent O(2)Fe6 octahedra,  an edgeedge with one O(8)Fe5 square pyramid,  an edgeedge with one O(9)Fe5 square pyramid, edges with two equivalent O(10)Fe5 square pyramids, edges with two equivalent O(7)Fe5 square pyramids,  an edgeedge with one O(11)CaFe3 tetrahedra, and  an edgeedge with one O(12)CaFe3 tetrahedra. In the second O site, O(2) is bonded to one Fe(11), one Fe(14), one Fe(3), one Fe(4), one Fe(5), and one Fe(6) atom to form distorted OFe6 octahedra that share corners with two equivalent O(10)Fe5 square pyramids, corners with two equivalent O(7)Fe5 square pyramids, edges with two equivalent O(1)Fe6 octahedra,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(7)Fe5 square pyramid, edges with two equivalent O(8)Fe5 square pyramids, edges with two equivalent O(9)Fe5 square pyramids,  an edgeedge with one O(11)CaFe3 tetrahedra, and  an edgeedge with one O(12)CaFe3 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Fe(11), and one Fe(15) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Ca(1), one Fe(12), and one Fe(16) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(13) and one Fe(17) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Fe(14) and one Fe(18) atom. In the seventh O site, O(7) is bonded to one Fe(11), one Fe(12), one Fe(3), one Fe(4), and one Fe(5) atom to form OFe5 square pyramids that share corners with two equivalent O(2)Fe6 octahedra,  a cornercorner with one O(11)CaFe3 tetrahedra, corners with three equivalent O(12)CaFe3 tetrahedra,  an edgeedge with one O(2)Fe6 octahedra, edges with two equivalent O(1)Fe6 octahedra,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(9)Fe5 square pyramid, edges with two equivalent O(8)Fe5 square pyramids, and  an edgeedge with one O(11)CaFe3 tetrahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the eighth O site, O(8) is bonded to one Fe(11), one Fe(12), one Fe(3), one Fe(4), and one Fe(6) atom to form distorted OFe5 square pyramids that share corners with two equivalent O(1)Fe6 octahedra,  a cornercorner with one O(12)CaFe3 tetrahedra, corners with three equivalent O(11)CaFe3 tetrahedra,  an edgeedge with one O(1)Fe6 octahedra, edges with two equivalent O(2)Fe6 octahedra,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(9)Fe5 square pyramid, edges with two equivalent O(7)Fe5 square pyramids, and  an edgeedge with one O(12)CaFe3 tetrahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the ninth O site, O(9) is bonded to one Fe(13), one Fe(14), one Fe(3), one Fe(5), and one Fe(6) atom to form OFe5 square pyramids that share corners with two equivalent O(1)Fe6 octahedra,  a cornercorner with one O(11)CaFe3 tetrahedra,  an edgeedge with one O(1)Fe6 octahedra, edges with two equivalent O(2)Fe6 octahedra,  an edgeedge with one O(7)Fe5 square pyramid,  an edgeedge with one O(8)Fe5 square pyramid, and edges with two equivalent O(10)Fe5 square pyramids. The corner-sharing octahedral tilt angles range from 10-12°. In the tenth O site, O(10) is bonded to one Fe(13), one Fe(14), one Fe(4), one Fe(5), and one Fe(6) atom to form OFe5 square pyramids that share corners with two equivalent O(2)Fe6 octahedra,  a cornercorner with one O(12)CaFe3 tetrahedra,  an edgeedge with one O(2)Fe6 octahedra, edges with two equivalent O(1)Fe6 octahedra,  an edgeedge with one O(7)Fe5 square pyramid,  an edgeedge with one O(8)Fe5 square pyramid, and edges with two equivalent O(9)Fe5 square pyramids. The corner-sharing octahedral tilt angles range from 11-13°. In the eleventh O site, O(11) is bonded to one Ca(1), one Fe(11), one Fe(12), and one Fe(3) atom to form distorted OCaFe3 tetrahedra that share  a cornercorner with one O(7)Fe5 square pyramid,  a cornercorner with one O(9)Fe5 square pyramid, corners with three equivalent O(8)Fe5 square pyramids,  a cornercorner with one O(12)CaFe3 tetrahedra,  a cornercorner with one O(15)CaFe3 tetrahedra,  a cornercorner with one O(16)CaFe3 tetrahedra,  an edgeedge with one O(1)Fe6 octahedra,  an edgeedge with one O(2)Fe6 octahedra,  an edgeedge with one O(7)Fe5 square pyramid, and  an edgeedge with one O(12)CaFe3 tetrahedra. In the twelfth O site, O(12) is bonded to one Ca(1), one Fe(11), one Fe(12), and one Fe(4) atom to form OCaFe3 tetrahedra that share  a cornercorner with one O(10)Fe5 square pyramid,  a cornercorner with one O(8)Fe5 square pyramid, corners with three equivalent O(7)Fe5 square pyramids,  a cornercorner with one O(11)CaFe3 tetrahedra,  a cornercorner with one O(15)CaFe3 tetrahedra,  a cornercorner with one O(16)CaFe3 tetrahedra,  an edgeedge with one O(1)Fe6 octahedra,  an edgeedge with one O(2)Fe6 octahedra,  an edgeedge with one O(8)Fe5 square pyramid, and  an edgeedge with one O(11)CaFe3 tetrahedra. In the thirteenth O site, O(13) is bonded in a trigonal non-coplanar geometry to one Fe(13), one Fe(14), and one Fe(5) atom. In the fourteenth O site, O(14) is bonded in a trigonal non-coplanar geometry to one Fe(13), one Fe(14), and one Fe(6) atom. In the fifteenth O site, O(15) is bonded to one Ca(1), one Fe(15), one Fe(16), and one Fe(7) atom to form OCaFe3 tetrahedra that share  a cornercorner with one O(23)Fe5 square pyramid,  a cornercorner with one O(24)Fe5 square pyramid,  a cornercorner with one O(25)Fe5 square pyramid, corners with three equivalent O(20)Fe5 square pyramids,  a cornercorner with one O(11)CaFe3 tetrahedra,  a cornercorner with one O(12)CaFe3 tetrahedra,  a cornercorner with one O(16)CaFe3 tetrahedra,  a cornercorner with one O(19)Fe5 trigonal bipyramid,  an edgeedge with one O(16)CaFe3 tetrahedra, and  an edgeedge with one O(19)Fe5 trigonal bipyramid. In the sixteenth O site, O(16) is bonded to one Ca(1), one Fe(15), one Fe(16), and one Fe(8) atom to form OCaFe3 tetrahedra that share  a cornercorner with one O(20)Fe5 square pyramid,  a cornercorner with one O(23)Fe5 square pyramid,  a cornercorner with one O(24)Fe5 square pyramid,  a cornercorner with one O(26)Fe5 square pyramid,  a cornercorner with one O(11)CaFe3 tetrahedra,  a cornercorner with one O(12)CaFe3 tetrahedra,  a cornercorner with one O(15)CaFe3 tetrahedra, corners with three equivalent O(19)Fe5 trigonal bipyramids,  an edgeedge with one O(20)Fe5 square pyramid, and  an edgeedge with one O(15)CaFe3 tetrahedra. In the seventeenth O site, O(17) is bonded in a trigonal non-coplanar geometry to one Fe(17), one Fe(18), and one Fe(9) atom. In the eighteenth O site, O(18) is bonded in a trigonal non-coplanar geometry to one Fe(10), one Fe(17), and one Fe(18) atom. In the nineteenth O site, O(19) is bonded to one Fe(1), one Fe(15), one Fe(16), one Fe(7), and one Fe(8) atom to form distorted OFe5 trigonal bipyramids that share  a cornercorner with one O(21)Fe5 square pyramid,  a cornercorner with one O(23)Fe5 square pyramid, corners with three equivalent O(24)Fe5 square pyramids,  a cornercorner with one O(15)CaFe3 tetrahedra, corners with three equivalent O(16)CaFe3 tetrahedra,  an edgeedge with one O(23)Fe5 square pyramid,  an edgeedge with one O(25)Fe5 square pyramid,  an edgeedge with one O(26)Fe5 square pyramid, edges with two equivalent O(20)Fe5 square pyramids, and  an edgeedge with one O(15)CaFe3 tetrahedra. In the twentieth O site, O(20) is bonded to one Fe(15), one Fe(16), one Fe(2), one Fe(7), and one Fe(8) atom to form distorted OFe5 square pyramids that share  a cornercorner with one O(22)Fe5 square pyramid,  a cornercorner with one O(24)Fe5 square pyramid, corners with three equivalent O(23)Fe5 square pyramids,  a cornercorner with one O(16)CaFe3 tetrahedra, corners with three equivalent O(15)CaFe3 tetrahedra,  an edgeedge with one O(24)Fe5 square pyramid,  an edgeedge with one O(25)Fe5 square pyramid,  an edgeedge with one O(26)Fe5 square pyramid,  an edgeedge with one O(16)CaFe3 tetrahedra, and edges with two equivalent O(19)Fe5 trigonal bipyramids. In the twenty-first O site, O(21) is bonded to one Fe(1), one Fe(10), one Fe(17), one Fe(18), and one Fe(9) atom to form a mixture of corner and edge-sharing OFe5 square pyramids. In the twenty-second O site, O(22) is bonded to one Fe(10), one Fe(17), one Fe(18), one Fe(2), and one Fe(9) atom to form a mixture of corner and edge-sharing OFe5 square pyramids. In the twenty-third O site, O(23) is bonded to one Fe(1), one Fe(2), one Fe(7), one Fe(8), and one Fe(9) atom to form distorted OFe5 square pyramids that share corners with two equivalent O(25)Fe5 square pyramids, corners with three equivalent O(20)Fe5 square pyramids,  a cornercorner with one O(15)CaFe3 tetrahedra,  a cornercorner with one O(16)CaFe3 tetrahedra,  a cornercorner with one O(19)Fe5 trigonal bipyramid,  an edgeedge with one O(21)Fe5 square pyramid,  an edgeedge with one O(22)Fe5 square pyramid,  an edgeedge with one O(25)Fe5 square pyramid, edges with two equivalent O(24)Fe5 square pyramids, edges with two equivalent O(26)Fe5 square pyramids, and  an edgeedge with one O(19)Fe5 trigonal bipyramid. In the twenty-fourth O site, O(24) is bonded to one Fe(1), one Fe(10), one Fe(2), one Fe(7), and one Fe(8) atom to form distorted OFe5 square pyramids that share  a cornercorner with one O(20)Fe5 square pyramid, corners with two equivalent O(26)Fe5 square pyramids,  a cornercorner with one O(15)CaFe3 tetrahedra,  a cornercorner with one O(16)CaFe3 tetrahedra, corners with three equivalent O(19)Fe5 trigonal bipyramids,  an edgeedge with one O(20)Fe5 square pyramid,  an edgeedge with one O(21)Fe5 square pyramid,  an edgeedge with one O(22)Fe5 square pyramid,  an edgeedge with one O(26)Fe5 square pyramid, edges with two equivalent O(23)Fe5 square pyramids, and edges with two equivalent O(25)Fe5 square pyramids. In the twenty-fifth O site, O(25) is bonded to one Fe(1), one Fe(10), one Fe(2), one Fe(7), and one Fe(9) atom to form distorted OFe5 square pyramids that share  a cornercorner with one O(21)Fe5 square pyramid, corners with two equivalent O(23)Fe5 square pyramids, corners with three equivalent O(22)Fe5 square pyramids,  a cornercorner with one O(15)CaFe3 tetrahedra,  an edgeedge with one O(20)Fe5 square pyramid,  an edgeedge with one O(21)Fe5 square pyramid,  an edgeedge with one O(23)Fe5 square pyramid, edges with two equivalent O(24)Fe5 square pyramids, edges with two equivalent O(26)Fe5 square pyramids, and  an edgeedge with one O(19)Fe5 trigonal bipyramid. In the twenty-sixth O site, O(26) is bonded to one Fe(1), one Fe(10), one Fe(2), one Fe(8), and one Fe(9) atom to form distorted OFe5 square pyramids that share  a cornercorner with one O(22)Fe5 square pyramid, corners with two equivalent O(24)Fe5 square pyramids, corners with three equivalent O(21)Fe5 square pyramids,  a cornercorner with one O(16)CaFe3 tetrahedra,  an edgeedge with one O(20)Fe5 square pyramid,  an edgeedge with one O(22)Fe5 square pyramid,  an edgeedge with one O(24)Fe5 square pyramid, edges with two equivalent O(23)Fe5 square pyramids, edges with two equivalent O(25)Fe5 square pyramids, and  an edgeedge with one O(19)Fe5 trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(Fe9O13)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.262
_cell_length_b   5.998
_cell_length_c   17.492
_cell_angle_alpha   90.000
_cell_angle_beta   98.070
_cell_angle_gamma   106.612
_symmetry_Int_Tables_number   1
_cell_volume   523.337
_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  0.585  0.393  0.771  1.0
  Fe  Fe1  1  0.995  0.750  0.500  1.0
  Fe  Fe2  1  0.008  0.252  0.500  1.0
  Fe  Fe3  1  0.716  0.680  0.959  1.0
  Fe  Fe4  1  0.708  0.176  0.958  1.0
  Fe  Fe5  1  0.289  0.822  0.043  1.0
  Fe  Fe6  1  0.292  0.323  0.044  1.0
  Fe  Fe7  1  0.506  0.628  0.583  1.0
  Fe  Fe8  1  0.503  0.123  0.583  1.0
  Fe  Fe9  1  0.498  0.876  0.416  1.0
  Fe  Fe10  1  0.500  0.374  0.418  1.0
  Fe  Fe11  1  0.149  0.539  0.877  1.0
  Fe  Fe12  1  0.112  0.025  0.870  1.0
  Fe  Fe13  1  0.870  0.968  0.134  1.0
  Fe  Fe14  1  0.875  0.470  0.135  1.0
  Fe  Fe15  1  0.043  0.513  0.671  1.0
  Fe  Fe16  1  0.008  0.002  0.676  1.0
  Fe  Fe17  1  0.981  0.996  0.323  1.0
  Fe  Fe18  1  0.980  0.495  0.324  1.0
  O  O19  1  0.013  0.014  0.996  1.0
  O  O20  1  0.024  0.497  0.998  1.0
  O  O21  1  0.228  0.546  0.774  1.0
  O  O22  1  0.228  0.062  0.772  1.0
  O  O23  1  0.766  0.941  0.229  1.0
  O  O24  1  0.768  0.443  0.229  1.0
  O  O25  1  0.405  0.862  0.932  1.0
  O  O26  1  0.413  0.342  0.928  1.0
  O  O27  1  0.579  0.645  0.068  1.0
  O  O28  1  0.583  0.147  0.067  1.0
  O  O29  1  0.871  0.705  0.860  1.0
  O  O30  1  0.863  0.224  0.863  1.0
  O  O31  1  0.120  0.782  0.133  1.0
  O  O32  1  0.120  0.279  0.135  1.0
  O  O33  1  0.770  0.681  0.680  1.0
  O  O34  1  0.770  0.204  0.679  1.0
  O  O35  1  0.230  0.807  0.326  1.0
  O  O36  1  0.231  0.308  0.329  1.0
  O  O37  1  0.204  0.803  0.608  1.0
  O  O38  1  0.221  0.304  0.615  1.0
  O  O39  1  0.763  0.692  0.391  1.0
  O  O40  1  0.756  0.190  0.390  1.0
  O  O41  1  0.745  0.928  0.526  1.0
  O  O42  1  0.739  0.444  0.524  1.0
  O  O43  1  0.271  0.579  0.467  1.0
  O  O44  1  0.277  0.059  0.468  1.0
[/CIF]
.