The structure described by CaFeO2Cl crystallizes in the monoclinic C2/m space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), and four equivalent Cl(1) atoms. Fe(1) is bonded to two equivalent O(2) and three equivalent O(1) atoms to form a mixture of edge and corner-sharing FeO5 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1) and three equivalent Fe(1) atoms to form distorted OCaFe3 trigonal pyramids that share corners with four equivalent Cl(1)Ca4 tetrahedra, corners with two equivalent O(1)CaFe3 trigonal pyramids, corners with four equivalent O(2)Ca2Fe2 trigonal pyramids, edges with two equivalent O(2)Ca2Fe2 trigonal pyramids, and edges with two equivalent O(1)CaFe3 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Ca(1) and two equivalent Fe(1) atoms to form OCa2Fe2 trigonal pyramids that share corners with six equivalent Cl(1)Ca4 tetrahedra, corners with two equivalent O(2)Ca2Fe2 trigonal pyramids, corners with four equivalent O(1)CaFe3 trigonal pyramids,  an edgeedge with one Cl(1)Ca4 tetrahedra,  an edgeedge with one O(2)Ca2Fe2 trigonal pyramid, and edges with two equivalent O(1)CaFe3 trigonal pyramids. Cl(1) is bonded to four equivalent Ca(1) atoms to form ClCa4 tetrahedra that share corners with six equivalent Cl(1)Ca4 tetrahedra, corners with four equivalent O(1)CaFe3 trigonal pyramids, corners with six equivalent O(2)Ca2Fe2 trigonal pyramids, edges with three equivalent Cl(1)Ca4 tetrahedra, and  an edgeedge with one O(2)Ca2Fe2 trigonal pyramid. is represented by the CIF file [CIF]
data_CaFeClO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.450
_cell_length_b   5.450
_cell_length_c   8.832
_cell_angle_alpha   76.738
_cell_angle_beta   76.738
_cell_angle_gamma   41.694
_symmetry_Int_Tables_number   1
_cell_volume   169.169
_cell_formula_units_Z   2
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  0.392  0.392  0.792  1.0
  Ca  Ca1  1  0.608  0.608  0.208  1.0
  Fe  Fe2  1  0.861  0.861  0.502  1.0
  Fe  Fe3  1  0.139  0.139  0.498  1.0
  Cl  Cl4  1  0.665  0.665  0.877  1.0
  Cl  Cl5  1  0.335  0.335  0.123  1.0
  O  O6  1  0.315  0.315  0.558  1.0
  O  O7  1  0.976  0.976  0.662  1.0
  O  O8  1  0.024  0.024  0.338  1.0
  O  O9  1  0.685  0.685  0.442  1.0
[/CIF]
.
The structure described by CaFeO2Cl crystallizes in the monoclinic C2/m space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), and four equivalent Cl(1) atoms. Fe(1) is bonded to two equivalent O(2) and three equivalent O(1) atoms to form a mixture of edge and corner-sharing FeO5 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1) and three equivalent Fe(1) atoms to form distorted OCaFe3 trigonal pyramids that share corners with four equivalent Cl(1)Ca4 tetrahedra, corners with two equivalent O(1)CaFe3 trigonal pyramids, corners with four equivalent O(2)Ca2Fe2 trigonal pyramids, edges with two equivalent O(2)Ca2Fe2 trigonal pyramids, and edges with two equivalent O(1)CaFe3 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Ca(1) and two equivalent Fe(1) atoms to form OCa2Fe2 trigonal pyramids that share corners with six equivalent Cl(1)Ca4 tetrahedra, corners with two equivalent O(2)Ca2Fe2 trigonal pyramids, corners with four equivalent O(1)CaFe3 trigonal pyramids,  an edgeedge with one Cl(1)Ca4 tetrahedra,  an edgeedge with one O(2)Ca2Fe2 trigonal pyramid, and edges with two equivalent O(1)CaFe3 trigonal pyramids. Cl(1) is bonded to four equivalent Ca(1) atoms to form ClCa4 tetrahedra that share corners with six equivalent Cl(1)Ca4 tetrahedra, corners with four equivalent O(1)CaFe3 trigonal pyramids, corners with six equivalent O(2)Ca2Fe2 trigonal pyramids, edges with three equivalent Cl(1)Ca4 tetrahedra, and  an edgeedge with one O(2)Ca2Fe2 trigonal pyramid. is represented by the CIF file [CIF]
data_CaFeClO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.450
_cell_length_b   5.450
_cell_length_c   8.832
_cell_angle_alpha   76.738
_cell_angle_beta   76.738
_cell_angle_gamma   41.694
_symmetry_Int_Tables_number   1
_cell_volume   169.169
_cell_formula_units_Z   2
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  0.392  0.392  0.792  1.0
  Ca  Ca1  1  0.608  0.608  0.208  1.0
  Fe  Fe2  1  0.861  0.861  0.502  1.0
  Fe  Fe3  1  0.139  0.139  0.498  1.0
  Cl  Cl4  1  0.665  0.665  0.877  1.0
  Cl  Cl5  1  0.335  0.335  0.123  1.0
  O  O6  1  0.315  0.315  0.558  1.0
  O  O7  1  0.976  0.976  0.662  1.0
  O  O8  1  0.024  0.024  0.338  1.0
  O  O9  1  0.685  0.685  0.442  1.0
[/CIF]
.