The structure described by Cs8Fe2O7 crystallizes in the monoclinic P2_1/c space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(4) atoms. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to one O(2), one O(4), and two equivalent O(3) atoms. In the third Cs site, Cs(3) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(3), and two equivalent O(4) atoms. In the fourth Cs site, Cs(4) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. Fe(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing FeO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted octahedral geometry to two equivalent Cs(1), two equivalent Cs(4), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(2), one Cs(3), one Cs(4), two equivalent Cs(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Cs(4), two equivalent Cs(2), two equivalent Cs(3), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(2), one Cs(4), two equivalent Cs(1), two equivalent Cs(3), and one Fe(1) atom. is represented by the CIF card [CIF]
data_Cs8Fe2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.034
_cell_length_b   7.221
_cell_length_c   7.390
_cell_angle_alpha   61.030
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   841.982
_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
  Cs  Cs0  1  0.992  0.231  0.229  1.0
  Cs  Cs1  1  0.492  0.269  0.771  1.0
  Cs  Cs2  1  0.008  0.769  0.771  1.0
  Cs  Cs3  1  0.508  0.731  0.229  1.0
  Cs  Cs4  1  0.192  0.236  0.218  1.0
  Cs  Cs5  1  0.692  0.264  0.782  1.0
  Cs  Cs6  1  0.808  0.764  0.782  1.0
  Cs  Cs7  1  0.308  0.736  0.218  1.0
  Cs  Cs8  1  0.786  0.210  0.246  1.0
  Cs  Cs9  1  0.286  0.290  0.754  1.0
  Cs  Cs10  1  0.214  0.790  0.754  1.0
  Cs  Cs11  1  0.714  0.710  0.246  1.0
  Cs  Cs12  1  0.917  0.354  0.640  1.0
  Cs  Cs13  1  0.417  0.146  0.360  1.0
  Cs  Cs14  1  0.083  0.646  0.360  1.0
  Cs  Cs15  1  0.583  0.854  0.640  1.0
  Fe  Fe16  1  0.595  0.362  0.138  1.0
  Fe  Fe17  1  0.095  0.138  0.862  1.0
  Fe  Fe18  1  0.405  0.638  0.862  1.0
  Fe  Fe19  1  0.905  0.862  0.138  1.0
  O  O20  1  0.500  0.500  0.000  1.0
  O  O21  1  0.000  0.000  0.000  1.0
  O  O22  1  0.598  0.338  0.403  1.0
  O  O23  1  0.098  0.162  0.597  1.0
  O  O24  1  0.402  0.662  0.597  1.0
  O  O25  1  0.902  0.838  0.403  1.0
  O  O26  1  0.327  0.460  0.029  1.0
  O  O27  1  0.827  0.040  0.971  1.0
  O  O28  1  0.673  0.540  0.971  1.0
  O  O29  1  0.173  0.960  0.029  1.0
  O  O30  1  0.605  0.095  0.152  1.0
  O  O31  1  0.105  0.405  0.848  1.0
  O  O32  1  0.395  0.905  0.848  1.0
  O  O33  1  0.895  0.595  0.152  1.0
[/CIF]
.
The structure described by Cs8Fe2O7 crystallizes in the monoclinic P2_1/c space group. There are four inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(4) atoms. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to one O(2), one O(4), and two equivalent O(3) atoms. In the third Cs site, Cs(3) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(3), and two equivalent O(4) atoms. In the fourth Cs site, Cs(4) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. Fe(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing FeO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted octahedral geometry to two equivalent Cs(1), two equivalent Cs(4), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(2), one Cs(3), one Cs(4), two equivalent Cs(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Cs(4), two equivalent Cs(2), two equivalent Cs(3), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(2), one Cs(4), two equivalent Cs(1), two equivalent Cs(3), and one Fe(1) atom. is represented by the CIF card [CIF]
data_Cs8Fe2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.034
_cell_length_b   7.221
_cell_length_c   7.390
_cell_angle_alpha   61.030
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   841.982
_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
  Cs  Cs0  1  0.992  0.231  0.229  1.0
  Cs  Cs1  1  0.492  0.269  0.771  1.0
  Cs  Cs2  1  0.008  0.769  0.771  1.0
  Cs  Cs3  1  0.508  0.731  0.229  1.0
  Cs  Cs4  1  0.192  0.236  0.218  1.0
  Cs  Cs5  1  0.692  0.264  0.782  1.0
  Cs  Cs6  1  0.808  0.764  0.782  1.0
  Cs  Cs7  1  0.308  0.736  0.218  1.0
  Cs  Cs8  1  0.786  0.210  0.246  1.0
  Cs  Cs9  1  0.286  0.290  0.754  1.0
  Cs  Cs10  1  0.214  0.790  0.754  1.0
  Cs  Cs11  1  0.714  0.710  0.246  1.0
  Cs  Cs12  1  0.917  0.354  0.640  1.0
  Cs  Cs13  1  0.417  0.146  0.360  1.0
  Cs  Cs14  1  0.083  0.646  0.360  1.0
  Cs  Cs15  1  0.583  0.854  0.640  1.0
  Fe  Fe16  1  0.595  0.362  0.138  1.0
  Fe  Fe17  1  0.095  0.138  0.862  1.0
  Fe  Fe18  1  0.405  0.638  0.862  1.0
  Fe  Fe19  1  0.905  0.862  0.138  1.0
  O  O20  1  0.500  0.500  0.000  1.0
  O  O21  1  0.000  0.000  0.000  1.0
  O  O22  1  0.598  0.338  0.403  1.0
  O  O23  1  0.098  0.162  0.597  1.0
  O  O24  1  0.402  0.662  0.597  1.0
  O  O25  1  0.902  0.838  0.403  1.0
  O  O26  1  0.327  0.460  0.029  1.0
  O  O27  1  0.827  0.040  0.971  1.0
  O  O28  1  0.673  0.540  0.971  1.0
  O  O29  1  0.173  0.960  0.029  1.0
  O  O30  1  0.605  0.095  0.152  1.0
  O  O31  1  0.105  0.405  0.848  1.0
  O  O32  1  0.395  0.905  0.848  1.0
  O  O33  1  0.895  0.595  0.152  1.0
[/CIF]
.