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 |