The material structure described by FeO2 is Rutile-like structured and crystallizes in the monoclinic Pm space group. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(4), two equivalent O(13), and two equivalent O(14) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Fe site, Fe(2) is bonded to one O(10), one O(3), two equivalent O(15), and two equivalent O(16) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the third Fe site, Fe(3) is bonded to one O(5), one O(8), two equivalent O(10), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the fourth Fe site, Fe(4) is bonded to one O(14), one O(7), two equivalent O(11), and two equivalent O(12) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the fifth Fe site, Fe(5) is bonded to one O(12), one O(9), two equivalent O(5), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the sixth Fe site, Fe(6) is bonded to one O(11), one O(2), two equivalent O(7), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the seventh Fe site, Fe(7) is bonded to one O(13), one O(16), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the eighth Fe site, Fe(8) is bonded to one O(15), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1) and two equivalent Fe(7) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(6) and two equivalent Fe(7) atoms. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Fe(2) and two equivalent Fe(8) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(8) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Fe(3) and two equivalent Fe(5) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(8) and two equivalent Fe(5) atoms. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Fe(4) and two equivalent Fe(6) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(3) and two equivalent Fe(6) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Fe(5) and two equivalent Fe(3) atoms. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(3) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Fe(6) and two equivalent Fe(4) atoms. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Fe(5) and two equivalent Fe(4) atoms. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Fe(7) and two equivalent Fe(1) atoms. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Fe(4) and two equivalent Fe(1) atoms. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Fe(8) and two equivalent Fe(2) atoms. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Fe(7) and two equivalent Fe(2) atoms. is represented by the CIF file [CIF]
data_FeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.969
_cell_length_b   10.205
_cell_length_c   10.083
_cell_angle_alpha   89.805
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   305.563
_cell_formula_units_Z   8
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
  Fe  Fe0  1  0.000  0.135  0.340  1.0
  Fe  Fe1  1  0.000  0.653  0.148  1.0
  Fe  Fe2  1  0.500  0.615  0.832  1.0
  Fe  Fe3  1  0.500  0.123  0.662  1.0
  Fe  Fe4  1  0.000  0.811  0.668  1.0
  Fe  Fe5  1  0.000  0.300  0.855  1.0
  Fe  Fe6  1  0.500  0.338  0.174  1.0
  Fe  Fe7  1  0.500  0.820  0.352  1.0
  O  O8  1  0.000  0.333  0.298  1.0
  O  O9  1  0.000  0.326  0.048  1.0
  O  O10  1  0.000  0.697  0.342  1.0
  O  O11  1  0.000  0.942  0.339  1.0
  O  O12  1  0.500  0.805  0.794  1.0
  O  O13  1  0.500  0.806  0.548  1.0
  O  O14  1  0.500  0.176  0.860  1.0
  O  O15  1  0.500  0.425  0.835  1.0
  O  O16  1  0.000  0.623  0.703  1.0
  O  O17  1  0.000  0.627  0.956  1.0
  O  O18  1  0.000  0.248  0.665  1.0
  O  O19  1  0.000  0.997  0.670  1.0
  O  O20  1  0.500  0.142  0.216  1.0
  O  O21  1  0.500  0.140  0.464  1.0
  O  O22  1  0.500  0.773  0.144  1.0
  O  O23  1  0.500  0.531  0.171  1.0
[/CIF]
.
The material structure described by FeO2 is Rutile-like structured and crystallizes in the monoclinic Pm space group. There are eight inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(4), two equivalent O(13), and two equivalent O(14) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Fe site, Fe(2) is bonded to one O(10), one O(3), two equivalent O(15), and two equivalent O(16) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the third Fe site, Fe(3) is bonded to one O(5), one O(8), two equivalent O(10), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the fourth Fe site, Fe(4) is bonded to one O(14), one O(7), two equivalent O(11), and two equivalent O(12) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the fifth Fe site, Fe(5) is bonded to one O(12), one O(9), two equivalent O(5), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the sixth Fe site, Fe(6) is bonded to one O(11), one O(2), two equivalent O(7), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the seventh Fe site, Fe(7) is bonded to one O(13), one O(16), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the eighth Fe site, Fe(8) is bonded to one O(15), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1) and two equivalent Fe(7) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(6) and two equivalent Fe(7) atoms. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Fe(2) and two equivalent Fe(8) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Fe(8) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Fe(3) and two equivalent Fe(5) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(8) and two equivalent Fe(5) atoms. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Fe(4) and two equivalent Fe(6) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(3) and two equivalent Fe(6) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Fe(5) and two equivalent Fe(3) atoms. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Fe(2) and two equivalent Fe(3) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Fe(6) and two equivalent Fe(4) atoms. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Fe(5) and two equivalent Fe(4) atoms. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Fe(7) and two equivalent Fe(1) atoms. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Fe(4) and two equivalent Fe(1) atoms. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Fe(8) and two equivalent Fe(2) atoms. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Fe(7) and two equivalent Fe(2) atoms. is represented by the CIF file [CIF]
data_FeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.969
_cell_length_b   10.205
_cell_length_c   10.083
_cell_angle_alpha   89.805
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   305.563
_cell_formula_units_Z   8
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
  Fe  Fe0  1  0.000  0.135  0.340  1.0
  Fe  Fe1  1  0.000  0.653  0.148  1.0
  Fe  Fe2  1  0.500  0.615  0.832  1.0
  Fe  Fe3  1  0.500  0.123  0.662  1.0
  Fe  Fe4  1  0.000  0.811  0.668  1.0
  Fe  Fe5  1  0.000  0.300  0.855  1.0
  Fe  Fe6  1  0.500  0.338  0.174  1.0
  Fe  Fe7  1  0.500  0.820  0.352  1.0
  O  O8  1  0.000  0.333  0.298  1.0
  O  O9  1  0.000  0.326  0.048  1.0
  O  O10  1  0.000  0.697  0.342  1.0
  O  O11  1  0.000  0.942  0.339  1.0
  O  O12  1  0.500  0.805  0.794  1.0
  O  O13  1  0.500  0.806  0.548  1.0
  O  O14  1  0.500  0.176  0.860  1.0
  O  O15  1  0.500  0.425  0.835  1.0
  O  O16  1  0.000  0.623  0.703  1.0
  O  O17  1  0.000  0.627  0.956  1.0
  O  O18  1  0.000  0.248  0.665  1.0
  O  O19  1  0.000  0.997  0.670  1.0
  O  O20  1  0.500  0.142  0.216  1.0
  O  O21  1  0.500  0.140  0.464  1.0
  O  O22  1  0.500  0.773  0.144  1.0
  O  O23  1  0.500  0.531  0.171  1.0
[/CIF]
.