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. 2021 Oct 29;77(Pt 6):509–518. doi: 10.1107/S2053273321008792

Figure 5.

Figure 5

Heatmap of the ratio of the calculated total magnetization versus the expected for a collinear unit cell of b.c.c. iron, using grid spacings ranging from 0.02 to 0.2 Å and with the locations of iron atoms located in the scaled coordinates ranging between Inline graphic (shift of 0) and Inline graphic (shift of 0.45).