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. 2020 Apr 8;10:6081. doi: 10.1038/s41598-020-63012-9

Table 3.

The fraction coordination of twelve Fe atoms and four C atom of θ′-Fe3C in orthorhombic structure with the lattice parameters of aθ′ = 2aα-Fe = 4.033 Å, bθ′ = 3aα-Fe = 4.94 Å, cθ′ = 6aα-Fe = 6.986 Å for aα-Fe = 2.852 Å. Various variants are formed depending on the position and concentration of the intestinal carbon atoms.

Atoms aθ′ bθ′ cθ′
Fe1 0 0 0
Fe2 1/2 0 1/2
Fe3 0 1/2 0
Fe4 1/2 1/2 1/2
Fe5 1/2 1/4 1/6
Fe6 1/2 1/4 5/6
Fe7 0 1/4 1/3
Fe8 0 1/4 2/3
Fe9 1/2 3/4 1/6
Fe10 1/2 3/4 5/6
Fe11 0 3/4 1/3
Fe12 0 3/4 2/3
C1 0 0 1/2
C2 1/2 0 0
C3 0 1/2 1/2
C4 1/2 1/2 0