The compound described by FeO is Molybdenum Carbide MAX Phase-like structured and crystallizes in the trigonal P31c space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(4), and three equivalent O(1) atoms to form a mixture of corner, face, and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), one O(4), and three equivalent O(1) atoms to form a mixture of corner, face, and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Fe(1) and three equivalent Fe(2) atoms to form a mixture of distorted corner and edge-sharing OFe6 pentagonal pyramids. In the second O site, O(2) is bonded to three equivalent Fe(1) and three equivalent Fe(2) atoms to form a mixture of distorted corner and edge-sharing OFe6 pentagonal pyramids. In the third O site, O(3) is bonded to three equivalent Fe(1) and three equivalent Fe(2) atoms to form a mixture of distorted corner and edge-sharing OFe6 pentagonal pyramids. In the fourth O site, O(4) is bonded to three equivalent Fe(1) and three equivalent Fe(2) atoms to form a mixture of distorted corner and edge-sharing OFe6 pentagonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.071
_cell_length_b   3.071
_cell_length_c   5.251
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   42.888
_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  0.333  0.667  0.748  1.0
  Fe  Fe1  1  0.333  0.667  0.250  1.0
  O  O2  1  0.667  0.333  0.502  1.0
  O  O3  1  0.000  0.000  0.004  1.0
[/CIF]
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The compound described by FeO is Molybdenum Carbide MAX Phase-like structured and crystallizes in the trigonal P31c space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), one O(4), and three equivalent O(1) atoms to form a mixture of corner, face, and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), one O(4), and three equivalent O(1) atoms to form a mixture of corner, face, and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Fe(1) and three equivalent Fe(2) atoms to form a mixture of distorted corner and edge-sharing OFe6 pentagonal pyramids. In the second O site, O(2) is bonded to three equivalent Fe(1) and three equivalent Fe(2) atoms to form a mixture of distorted corner and edge-sharing OFe6 pentagonal pyramids. In the third O site, O(3) is bonded to three equivalent Fe(1) and three equivalent Fe(2) atoms to form a mixture of distorted corner and edge-sharing OFe6 pentagonal pyramids. In the fourth O site, O(4) is bonded to three equivalent Fe(1) and three equivalent Fe(2) atoms to form a mixture of distorted corner and edge-sharing OFe6 pentagonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.071
_cell_length_b   3.071
_cell_length_c   5.251
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   42.888
_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  0.333  0.667  0.748  1.0
  Fe  Fe1  1  0.333  0.667  0.250  1.0
  O  O2  1  0.667  0.333  0.502  1.0
  O  O3  1  0.000  0.000  0.004  1.0
[/CIF]
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