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. 2016 Oct 14;24(7):1522–1528. doi: 10.1016/j.sjbs.2016.09.019

Table 2.

Observed and calculated crystallographic data as well as the Miller indices.

h k l 2θ Calc. 2θ Obs. Difference d. Obs. d. Calc.
1 1 1 37.5000 37.9469 −0.4469 2.3984 2.3712
2 0 0 43.7200 44.1015 −0.3815 2.0706 2.0535
2 2 0 64.0400 64.1373 −0.0973 1.4540 1.4521
3 1 1 77.1200 77.0091 0.1109 1.2368 1.2383