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. 2019 May 16;5(5):e01628. doi: 10.1016/j.heliyon.2019.e01628

Table 1.

X-ray powder data observed (obs.) and calculated (calc.) for NaBi2Ta5O16 and TlBi2Ta5O16.

NaBi2Ta5O16 TlBi2Ta5O16
hkl dobs. (Å) dcalc. (Å) I (%) dobs. (Å) dcalc. (Å) I (%)
111 6.06 6.06 16 6.07 6.07 9
220 3.713 3.712 <1 3.718 3.717 1
311 3.166 3.166 11 3.170 3.170 21
222 3.0315 3.0314 100 3.0353 3.0352 100
400 2.6253 2.6253 35 2.6286 2.6286 29
331 2.4092 2.4091 1 2.4122 2.4121 1
422 2.1435 2.1436 <1 2.1463 2.1462 <1
511 2.0209 2.0210 2 2.0235 2.0235 3
440 1.8563 1.8564 41 1.8587 1.8587 38
531 1.7750 1.7750 4 1.7773 1.7772 6
442 - 1.7502 - 1.7524 1.7524 <1
620 1.6604 1.6604 <1 1.6625 1.6624 <1
533 1.6014 1.6014 1 1.6034 1.6034 4
622 1.5831 1.5831 36 1.5851 1.5851 33
444 1.5157 1.5157 10 1.5176 1.5176 9
551 1.4704 1.4705 2 1.4723 1.4723 3
731 1.3671 1.3671 3 1.3689 1.3688 4
800 1.3127 1.3127 5 1.3143 1.3143 4
733 1.2829 1.2829 <1 1.2845 1.2845 1
644 - 1.2735 - 1.2751 1.2751 <1