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We have learned: irradiated sample length should be at maximum 10mm. Maximum divergence angle should be much less than take-off angle of X-rays from tube anode. The latter angle usually is 6°.
We have collected all results into a table. Table colums are marked as follows:
Value | RR | RR-BGMN | F1 | V5 | V10 | X |
Rexp | 1.5%-7.0% | 5.36% | 6.16% | 4.96% | 3.70% | - |
Rwp | 8.2%-20% | 7.84% | 8.36% | 7.91% | 6.48% | - |
a/Å | 8.4764-8.4859 | 8.4760(2) | 8.4789(6) | 8.4786(5) | 8.4786(4) | 8.482(2) |
b/Å | 5.3962-5.4024 | 5.3957(2) | 5.3991(4) | 5.3989(3) | 5.3986(3) | 5.398(2) |
c/Å | 6.9568-6.9650 | 6.9563(2) | 6.9589(5) | 6.9588(4) | 6.9588(4) | 6.959(2) |
Pb: x | 0.1875-0.1883 | 0.18790(7) | 0.1880(1) | 0.1881(1) | 0.18790(7) | 0.1879(1) |
Pb: z | 0.1669-0.1683 | 0.16714(1) | 0.1672(2) | 0.1674(2) | 0.1671(2) | 0.1667(1) |
Pb: B/Å2 | 0.9-2.39 | 1.52(2) | 1.44(2) | 1.30(2) | 1.63(2) | 1.48 |
S: x | 0.0621-0.0673 | 0.0631(4) | 0.0636(6) | 0.0632(5) | 0.0636(4) | 0.0633(6) |
S: z | 0.6799-0.6860 | 0.6849(5) | 0.6878(7) | 0.6852(7) | 0.6851(5) | 0.6842(7) |
S: B/Å2 | 0.29-1.37 | 0.83(7) | 1.0(1) | 0.7(1) | 1.04(7) | 0.74 |
O1: x | 0.902-0.924 | 0.906(1) | 0.907(2) | 0.909(1) | 0.907(1) | 0.908(2) |
O1: z | 0.585-0.601 | 0.597(1) | 0.598(2) | 0.599(2) | 0.598(2) | 0.596(3) |
O1: B/Å2 | 0.50-4.2 | 1.2(2) | 0.8(2) | 0.8(2) | 1.0(2) | 1.87 |
O2: x | 0.177-0.200 | 0.191(2) | 0.192(2) | 0.191(2) | 0.191(2) | 0.194(2) |
O2: z | 0.523-0.548 | 0.547(2) | 0.546(2) | 0.543(2) | 0.545(2) | 0.543(2) |
O2: B/Å2 | 0.1-5.8 | 1.4(2) | 1.6(3) | 0.6(2) | 1.4(2) | 1.76 |
O3: x | 0.071-0.080 | 0.0786(6) | 0.0808(8) | 0.0810(8) | 0.0790(6) | 0.082(1) |
O3: y | 0.018-0.041 | 0.026(1) | 0.024(2) | 0.026(2) | 0.026(1) | 0.026(2) |
O3: z | 0.806-0.819 | 0.811(1) | 0.807(2) | 0.805(2) | 0.807(1) | 0.809(2) |
O3: B/Å2 | 0.8-4.6 | 0.9(2) | 0.7(2) | 0.7(2) | 0.8(2) | 1.34 |