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. 2019 Aug 2;6(Pt 5):884–894. doi: 10.1107/S2052252519009230

Table 6. The d orbital populations obtained at 100 (charge only) and 20 K (charge and spin) including s contribution.

Experiment Inline graphic Inline graphic dxy dxz dyz
100 K 0.56, 16% 0.64, 18% 0.49, 14% 1.01, 28% 0.79, 23%
20 K charge 0.55, 16% 0.54, 16% 0.59, 17% 0.89, 27% 0.85, 25%
20 K spin 0.15, 14% 0.08, 8% 0.13, 13% 0.31, 29% 0.37, 36%
20 K spin up 0.35, 16% 0.31, 14% 0.36, 16% 0.60, 27% 0.61, 27%
20 K spin down 0.20, 17% 0.23, 19% 0.23, 19% 0.29, 24% 0.24, 20%
Pure d contribution 0.15, 11% 0.14, 10% 0.19, 13% 0.49, 35% 0.45, 32%