The material described by FeO is Molybdenum Carbide MAX Phase-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to six equivalent O(1) atoms to form a mixture of edge, corner, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the second Fe site, Fe(2) is bonded to six equivalent O(1) atoms to form a mixture of edge, corner, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. O(1) is bonded to three equivalent Fe(1) and three equivalent Fe(2) atoms to form a mixture of distorted edge and corner-sharing OFe6 pentagonal pyramids. is represented by the CIF file [CIF]
data_FeO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.085
_cell_length_b   3.085
_cell_length_c   5.275
_cell_angle_alpha   87.787
_cell_angle_beta   87.787
_cell_angle_gamma   59.221
_symmetry_Int_Tables_number   1
_cell_volume   43.094
_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
  Fe  Fe0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.000  0.000  0.500  1.0
  O  O2  1  0.335  0.335  0.256  1.0
  O  O3  1  0.665  0.665  0.744  1.0
[/CIF]
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The material described by FeO is Molybdenum Carbide MAX Phase-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to six equivalent O(1) atoms to form a mixture of edge, corner, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the second Fe site, Fe(2) is bonded to six equivalent O(1) atoms to form a mixture of edge, corner, and face-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. O(1) is bonded to three equivalent Fe(1) and three equivalent Fe(2) atoms to form a mixture of distorted edge and corner-sharing OFe6 pentagonal pyramids. is represented by the CIF file [CIF]
data_FeO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.085
_cell_length_b   3.085
_cell_length_c   5.275
_cell_angle_alpha   87.787
_cell_angle_beta   87.787
_cell_angle_gamma   59.221
_symmetry_Int_Tables_number   1
_cell_volume   43.094
_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
  Fe  Fe0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.000  0.000  0.500  1.0
  O  O2  1  0.335  0.335  0.256  1.0
  O  O3  1  0.665  0.665  0.744  1.0
[/CIF]
.