The material described by K6Fe2O5 crystallizes in the monoclinic Cm space group. There are four inequivalent K sites. In the first K site, K(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form distorted edge-sharing KO4 trigonal pyramids. In the second K site, K(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. In the third K site, K(3) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. In the fourth K site, K(4) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. In the second Fe site, Fe(2) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one K(2), one K(4), two equivalent K(1), two equivalent K(3), and one Fe(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one K(4), two equivalent K(3), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 7-coordinate geometry to one K(2), one K(4), two equivalent K(1), two equivalent K(3), and one Fe(2) atom. is represented by the CIF file [CIF]
data_K6Fe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.637
_cell_length_b   6.615
_cell_length_c   6.615
_cell_angle_alpha   116.927
_cell_angle_beta   92.145
_cell_angle_gamma   92.149
_symmetry_Int_Tables_number   1
_cell_volume   258.279
_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
  K  K0  1  0.993  0.204  0.792  1.0
  K  K1  1  0.171  0.361  0.361  1.0
  K  K2  1  0.501  0.758  0.244  1.0
  K  K3  1  0.501  0.244  0.758  1.0
  K  K4  1  0.832  0.643  0.643  1.0
  K  K5  1  0.993  0.792  0.204  1.0
  Fe  Fe6  1  0.332  0.794  0.794  1.0
  Fe  Fe7  1  0.692  0.190  0.190  1.0
  O  O8  1  0.219  0.841  0.562  1.0
  O  O9  1  0.219  0.562  0.841  1.0
  O  O10  1  0.592  0.927  0.927  1.0
  O  O11  1  0.772  0.165  0.446  1.0
  O  O12  1  0.772  0.446  0.165  1.0
[/CIF]
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The material described by K6Fe2O5 crystallizes in the monoclinic Cm space group. There are four inequivalent K sites. In the first K site, K(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form distorted edge-sharing KO4 trigonal pyramids. In the second K site, K(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. In the third K site, K(3) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. In the fourth K site, K(4) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. In the second Fe site, Fe(2) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one K(2), one K(4), two equivalent K(1), two equivalent K(3), and one Fe(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one K(4), two equivalent K(3), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 7-coordinate geometry to one K(2), one K(4), two equivalent K(1), two equivalent K(3), and one Fe(2) atom. is represented by the CIF file [CIF]
data_K6Fe2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.637
_cell_length_b   6.615
_cell_length_c   6.615
_cell_angle_alpha   116.927
_cell_angle_beta   92.145
_cell_angle_gamma   92.149
_symmetry_Int_Tables_number   1
_cell_volume   258.279
_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
  K  K0  1  0.993  0.204  0.792  1.0
  K  K1  1  0.171  0.361  0.361  1.0
  K  K2  1  0.501  0.758  0.244  1.0
  K  K3  1  0.501  0.244  0.758  1.0
  K  K4  1  0.832  0.643  0.643  1.0
  K  K5  1  0.993  0.792  0.204  1.0
  Fe  Fe6  1  0.332  0.794  0.794  1.0
  Fe  Fe7  1  0.692  0.190  0.190  1.0
  O  O8  1  0.219  0.841  0.562  1.0
  O  O9  1  0.219  0.562  0.841  1.0
  O  O10  1  0.592  0.927  0.927  1.0
  O  O11  1  0.772  0.165  0.446  1.0
  O  O12  1  0.772  0.446  0.165  1.0
[/CIF]
.