The crystal structure described by Cs5FeO4 crystallizes in the monoclinic P2_1/c space group. There are five inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(3) atoms. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the third Cs site, Cs(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(4) atoms. In the fourth Cs site, Cs(4) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(3) atoms. In the fifth Cs site, Cs(5) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(2) atoms. Fe(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 6-coordinate geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(4), and one Fe(1) atom. In the second O site, O(4) is bonded in a 1-coordinate geometry to one Cs(2), one Cs(4), one Cs(5), two equivalent Cs(3), and one Fe(1) atom. In the third O site, O(1) is bonded in a 6-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), two equivalent Cs(4), and one Fe(1) atom. In the fourth O site, O(2) is bonded in a 6-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), two equivalent Cs(5), and one Fe(1) atom. is represented by the CIF file [CIF]
data_Cs5FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.713
_cell_length_b   8.961
_cell_length_c   11.191
_cell_angle_alpha   82.301
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1064.635
_cell_formula_units_Z   4
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  0.831  0.955  0.532  1.0
  Cs  Cs1  1  0.331  0.045  0.968  1.0
  Cs  Cs2  1  0.169  0.045  0.468  1.0
  Cs  Cs3  1  0.669  0.955  0.032  1.0
  Cs  Cs4  1  0.850  0.268  0.759  1.0
  Cs  Cs5  1  0.350  0.732  0.741  1.0
  Cs  Cs6  1  0.150  0.732  0.241  1.0
  Cs  Cs7  1  0.650  0.268  0.259  1.0
  Cs  Cs8  1  0.691  0.564  0.521  1.0
  Cs  Cs9  1  0.191  0.436  0.979  1.0
  Cs  Cs10  1  0.309  0.436  0.479  1.0
  Cs  Cs11  1  0.809  0.564  0.021  1.0
  Cs  Cs12  1  0.993  0.892  0.857  1.0
  Cs  Cs13  1  0.493  0.108  0.643  1.0
  Cs  Cs14  1  0.007  0.108  0.143  1.0
  Cs  Cs15  1  0.507  0.892  0.357  1.0
  Cs  Cs16  1  0.033  0.601  0.640  1.0
  Cs  Cs17  1  0.533  0.399  0.860  1.0
  Cs  Cs18  1  0.967  0.399  0.360  1.0
  Cs  Cs19  1  0.467  0.601  0.140  1.0
  Fe  Fe20  1  0.668  0.780  0.767  1.0
  Fe  Fe21  1  0.168  0.220  0.733  1.0
  Fe  Fe22  1  0.332  0.220  0.233  1.0
  Fe  Fe23  1  0.832  0.780  0.267  1.0
  O  O24  1  0.573  0.796  0.621  1.0
  O  O25  1  0.073  0.204  0.879  1.0
  O  O26  1  0.427  0.204  0.379  1.0
  O  O27  1  0.927  0.796  0.121  1.0
  O  O28  1  0.563  0.711  0.903  1.0
  O  O29  1  0.063  0.289  0.597  1.0
  O  O30  1  0.437  0.289  0.097  1.0
  O  O31  1  0.937  0.711  0.403  1.0
  O  O32  1  0.732  0.974  0.783  1.0
  O  O33  1  0.232  0.026  0.717  1.0
  O  O34  1  0.268  0.026  0.217  1.0
  O  O35  1  0.768  0.974  0.283  1.0
  O  O36  1  0.799  0.640  0.754  1.0
  O  O37  1  0.299  0.360  0.746  1.0
  O  O38  1  0.201  0.360  0.246  1.0
  O  O39  1  0.701  0.640  0.254  1.0
[/CIF]
.
The crystal structure described by Cs5FeO4 crystallizes in the monoclinic P2_1/c space group. There are five inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(3) atoms. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the third Cs site, Cs(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(4) atoms. In the fourth Cs site, Cs(4) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(3) atoms. In the fifth Cs site, Cs(5) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(2) atoms. Fe(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 6-coordinate geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(4), and one Fe(1) atom. In the second O site, O(4) is bonded in a 1-coordinate geometry to one Cs(2), one Cs(4), one Cs(5), two equivalent Cs(3), and one Fe(1) atom. In the third O site, O(1) is bonded in a 6-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), two equivalent Cs(4), and one Fe(1) atom. In the fourth O site, O(2) is bonded in a 6-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), two equivalent Cs(5), and one Fe(1) atom. is represented by the CIF file [CIF]
data_Cs5FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.713
_cell_length_b   8.961
_cell_length_c   11.191
_cell_angle_alpha   82.301
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1064.635
_cell_formula_units_Z   4
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  0.831  0.955  0.532  1.0
  Cs  Cs1  1  0.331  0.045  0.968  1.0
  Cs  Cs2  1  0.169  0.045  0.468  1.0
  Cs  Cs3  1  0.669  0.955  0.032  1.0
  Cs  Cs4  1  0.850  0.268  0.759  1.0
  Cs  Cs5  1  0.350  0.732  0.741  1.0
  Cs  Cs6  1  0.150  0.732  0.241  1.0
  Cs  Cs7  1  0.650  0.268  0.259  1.0
  Cs  Cs8  1  0.691  0.564  0.521  1.0
  Cs  Cs9  1  0.191  0.436  0.979  1.0
  Cs  Cs10  1  0.309  0.436  0.479  1.0
  Cs  Cs11  1  0.809  0.564  0.021  1.0
  Cs  Cs12  1  0.993  0.892  0.857  1.0
  Cs  Cs13  1  0.493  0.108  0.643  1.0
  Cs  Cs14  1  0.007  0.108  0.143  1.0
  Cs  Cs15  1  0.507  0.892  0.357  1.0
  Cs  Cs16  1  0.033  0.601  0.640  1.0
  Cs  Cs17  1  0.533  0.399  0.860  1.0
  Cs  Cs18  1  0.967  0.399  0.360  1.0
  Cs  Cs19  1  0.467  0.601  0.140  1.0
  Fe  Fe20  1  0.668  0.780  0.767  1.0
  Fe  Fe21  1  0.168  0.220  0.733  1.0
  Fe  Fe22  1  0.332  0.220  0.233  1.0
  Fe  Fe23  1  0.832  0.780  0.267  1.0
  O  O24  1  0.573  0.796  0.621  1.0
  O  O25  1  0.073  0.204  0.879  1.0
  O  O26  1  0.427  0.204  0.379  1.0
  O  O27  1  0.927  0.796  0.121  1.0
  O  O28  1  0.563  0.711  0.903  1.0
  O  O29  1  0.063  0.289  0.597  1.0
  O  O30  1  0.437  0.289  0.097  1.0
  O  O31  1  0.937  0.711  0.403  1.0
  O  O32  1  0.732  0.974  0.783  1.0
  O  O33  1  0.232  0.026  0.717  1.0
  O  O34  1  0.268  0.026  0.217  1.0
  O  O35  1  0.768  0.974  0.283  1.0
  O  O36  1  0.799  0.640  0.754  1.0
  O  O37  1  0.299  0.360  0.746  1.0
  O  O38  1  0.201  0.360  0.246  1.0
  O  O39  1  0.701  0.640  0.254  1.0
[/CIF]
.