Сингония – моноклинная.
Параметры ячейки:
а= 13.58(2) Å
b= 5.525(5) Å
c= 9.186(6) Å
b= 96.48(7)°
| N | 2*TH | D | I/I0 | Qobs | h | k | l | Qcalc | dQ |
| 1 | 29.410 | 3.03436 | 0 | 1086.09 | 0 | 0 | 3 | 1080.4 | 5.7 |
| 2 | 29.410 | 3.03436 | 0 | 1086.09 | -1 | 0 | 3 | 1080.4 | 5.7 |
| 3 | 30.800 | 2.90049 | 2 | 1188.65 | 1 | 0 | 3 | 1190.3 | -1.6 |
| 4 | 30.800 | 2.90049 | 2 | 1188.65 | -2 | 0 | 3 | 1190.2 | -1.6 |
| 5 | 30.800 | 2.90049 | 2 | 1188.65 | -3 | 1 | 2 | 1192.3 | -3.7 |
| 6 | 32.362 | 2.76403 | 0 | 1308.93 | 0 | 2 | 0 | 1310.3 | -1.3 |
| 7 | 43.225 | 2.09123 | 0 | 2286.62 | 2 | 0 | 4 | 2287.0 | -0.4 |
| 8 | 44.131 | 2.05039 | 3 | 2378.64 | 1 | 1 | 4 | 2376.4 | 2.2 |
| 9 | 50.516 | 1.80516 | 0 | 3068.82 | 0 | 3 | 1 | 3068.1 | 0.7 |
| 10 | 52.249 | 1.74929 | 2 | 3267.96 | 7 | 1 | 1 | 3268.2 | -0.3 |
| 11 | 64.188 | 1.44973 | 0 | 4758.05 | -6 | 1 | 5 | 4757.1 | 0.9 |
| 12 | 64.188 | 1.44973 | 0 | 4758.05 | 2 | 0 | 6 | 4761.1 | -3.0 |
| 13 | 64.188 | 1.44973 | 0 | 4758.05 | -4 | 0 | 6 | 4761.0 | -2.9 |
| 14 | 70.696 | 1.33137 | 0 | 5641.59 | 4 | 0 | 6 | 5640.2 | 1.4 |
| 15 | 70.696 | 1.33137 | 0 | 5641.59 | -6 | 0 | 6 | 5640.1 | 1.5 |
Таблица 15. Результаты индицирования рентгенограммы фазы М в образце № 13(II).
Сингония – моноклинная.
Параметры ячейки:
a= 13.52(1) Å, b= 5.543(2) Å, c= 9.165(5) Å, b= 96.47(5)°
| N | 2*TH | D | I/I0 | Qobs | h | k | l | Qcalc | dQ |
| 1 | 17.248 | 5.13672 | 1 | 378.99 | 2 | 0 | 1 | 379.0 | -0.0 |
| 2 | 26.629 | 3.34463 | 5 | 893.93 | 1 | 1 | 2 | 899.9 | -6.0 |
| 3 | 29.377 | 3.03768 | 0 | 1083.72 | 0 | 0 | 3 | 1085.2 | -1.5 |
| 4 | 29.377 | 3.03768 | 0 | 1083.72 | -1 | 0 | 3 | 1085.3 | -1.6 |
| 5 | 29.544 | 3.02095 | 1 | 1095.75 | 3 | 0 | 2 | 1091.4 | 4.3 |
| 6 | 30.883 | 2.89294 | 3 | 1194.87 | 1 | 0 | 3 | 1195.8 | -0.9 |
| 7 | 30.883 | 2.89294 | 3 | 1194.87 | -2 | 0 | 3 | 1196.3 | -1.4 |
| 8 | 30.883 | 2.89294 | 3 | 1194.87 | -3 | 1 | 2 | 1195.9 | -1.0 |
| 9 | 42.266 | 2.13644 | 0 | 2190.88 | 4 | 0 | 3 | 2192.6 | -1.7 |
| 10 | 42.266 | 2.13644 | 0 | 2190.88 | 4 | 2 | 0 | 2188.1 | 2.8 |
| 11 | 43.338 | 2.08605 | 1 | 2298.01 | 2 | 0 | 4 | 2298.1 | -0.1 |
| 12 | 44.177 | 2.04834 | 2 | 2383.39 | 1 | 1 | 4 | 2383.7 | -0.3 |
| 13 | 50.392 | 1.80933 | 0 | 3054.67 | 3 | 2 | 3 | 3051.2 | 3.5 |
| 14 | 50.392 | 1.80933 | 0 | 3054.67 | -2 | 0 | 5 | 3051.9 | 2.8 |
| 15 | 50.392 | 1.80933 | 0 | 3054.67 | -4 | 2 | 3 | 3052.3 | 2.3 |
| 16 | 50.656 | 1.80050 | 0 | 3084.71 | -1 | 3 | 1 | 3086.3 | -1.6 |
| 17 | 52.418 | 1.74406 | 2 | 3287.59 | 7 | 1 | 1 | 3289.6 | -2.0 |
| 18 | 52.582 | 1.73900 | 0 | 3306.76 | 2 | 3 | 1 | 3307.7 | -1.0 |
| 19 | 64.392 | 1.44562 | 0 | 4785.08 | 2 | 0 | 6 | 4783.2 | 1.8 |
| 20 | 64.392 | 1.44562 | 0 | 4785.08 | -4 | 0 | 6 | 4785.3 | -0.2 |
| 21 | 64.392 | 1.44562 | 0 | 4785.08 | -6 | 1 | 5 | 4782.0 | 3.1 |
| 22 | 64.392 | 1.44562 | 0 | 4785.08 | -6 | 2 | 4 | 4783.5 | 1.6 |
| 23 | 69.754 | 1.34703 | 0 | 5511.23 | -2 | 4 | 1 | 5512.0 | -0.7 |
| 24 | 70.886 | 1.32827 | 0 | 5667.94 | 4 | 0 | 6 | 5669.0 | -1.1 |
| 25 | 70.886 | 1.32827 | 0 | 5667.94 | -6 | 0 | 6 | 5672.4 | -4.5 |
Таблица 16. Результаты индицирования рентгенограммы фазы М в образце №14(I).
Сингония – моноклинная.
Параметры ячейки:
a= 13.55(2)Å
b= 5.529(4)Å
c= 9.179(6)Å
b= 96.49(6)°
| N | 2*TH | D | I/I0 | Qobs | h | k | l | Qcalc | dQ |
| 1 | 17.207 | 5.14900 | 1 | 377.18 | 2 | 0 | 1 | 377.6 | -0.4 |
| 2 | 26.687 | 3.33743 | 5 | 897.79 | 1 | 1 | 2 | 899.9 | -2.1 |
| 3 | 29.338 | 3.04170 | 1 | 1080.85 | 0 | 0 | 3 | 1082.0 | -1.2 |
| 4 | 29.338 | 3.04170 | 1 | 1080.85 | -1 | 0 | 3 | 1081.9 | -1.1 |
| 5 | 31.104 | 2.87285 | 1 | 1211.64 | 4 | 1 | 0 | 1209.2 | 2.4 |
| 6 | 32.304 | 2.76882 | 0 | 1304.40 | 0 | 2 | 0 | 1308.4 | -4.0 |
| 7 | 42.296 | 2.13501 | 0 | 2193.83 | 4 | 2 | 0 | 2190.5 | 3.3 |
| 8 | 43.276 | 2.08888 | 1 | 2291.79 | 2 | 0 | 4 | 2291.3 | 0.4 |
| 9 | 44.153 | 2.04941 | 2 | 2380.92 | 1 | 1 | 4 | 2379.4 | 1.5 |
| 10 | 50.400 | 1.80904 | 0 | 3055.65 | 3 | 2 | 3 | 3052.3 | 3.4 |
| 11 | 52.690 | 1.73569 | 0 | 3319.38 | 2 | 3 | 1 | 3321.5 | -2.1 |
| 12 | 54.203 | 1.69075 | 0 | 3498.17 | -8 | 0 | 1 | 3501.4 | -3.3 |
| 13 | 64.590 | 1.44166 | 0 | 4811.40 | -8 | 2 | 1 | 4809.8 | 1.6 |
| 14 | 70.761 | 1.33031 | 0 | 5650.62 | -6 | 0 | 6 | 5650.1 | 0.5 |
| 15 | 70.761 | 1.33031 | 0 | 5650.62 | 4 | 0 | 6 | 5651.9 | -1.3 |
Таблица 17. Параметры элементарной ячейки
фазы М в различных образцах.
| № образца | Параметры | |||
| а, Å | b, Å | c, Å | b, ° | |
| 7 (II) | 13,58(2) | 5,525(5) | 9,186(6) | 96,48(7) |
| 13(II) | 13,52(1) | 5,543(2) | 9,165(5) | 96,47(5) |
| 14 (I) | 13,55(2) | 5,529(4) | 9,179(6) | 96,49(6) |
| 14 (II) | 13,57(2) | 5,526(6) | 9,179(7) | 96,45(7) |
| Bi7F11O5 [19] | 13,5238(3) | 5,5285(1) | 9,1886(2) | 96,171(1) |
Таблица 18. Рентгенографические данные
для образца № 13(II).
| N | L(N) | 2*TH | D | Q | I/I0 | Фаза |
| 1 | 35.149 | 17.248 | 5.13672 | 378.99 | 1 | М |
| 2 | 53.925 | 26.629 | 3.34463 | 893.93 | 5 | Ф', М |
| 3 | 59.427 | 29.377 | 3.03768 | 1083.72 | 0 | М |
| 4 | 59.760 | 29.544 | 3.02095 | 1095.75 | 1 | М |
| 5 | 62.441 | 30.883 | 2.89294 | 1194.87 | 3 | Ф', М |
| 6 | 64.839 | 32.081 | 2.78761 | 1286.87 | 0 | М? |
| 7 | 85.234 | 42.266 | 2.13644 | 2190.88 | 0 | М |
| 8 | 87.381 | 43.338 | 2.08605 | 2298.01 | 1 | М |
| 9 | 89.062 | 44.177 | 2.04834 | 2383.39 | 2 | Ф', М |
| 10 | 101.510 | 50.392 | 1.80933 | 3054.67 | 0 | М |
| 11 | 102.040 | 50.656 | 1.80050 | 3084.71 | 0 | М |
| 12 | 105.569 | 52.418 | 1.74406 | 3287.59 | 2 | Ф', М |
| 13 | 105.898 | 52.582 | 1.73900 | 3306.76 | 0 | М |
| 14 | 110.642 | 54.950 | 1.66953 | 3587.68 | 0 | Ф' |
| 15 | 129.562 | 64.392 | 1.44562 | 4785.08 | 0 | Ф', М |
| 16 | 140.309 | 69.754 | 1.34703 | 5511.23 | 0 | М |
| 17 | 142.577 | 70.886 | 1.32827 | 5667.94 | 0 | Ф', М |
Таблица 19. Рентгенографические данные
для образца № 14(I).
| N | L(N) | 2*TH | D | Q | I/I0 | Фаза |
| 1 | 35.064 | 17.207 | 5.14900 | 377.18 | 1 | М |
| 2 | 54.088 | 26.687 | 3.33743 | 897.79 | 5 | Ф', М |
| 3 | 59.407 | 29.338 | 3.04170 | 1080.85 | 1 | М |
| 4 | 62.409 | 30.833 | 2.89749 | 1191.13 | 1 | Ф' |
| 5 | 62.953 | 31.104 | 2.87285 | 1211.64 | 1 | М |
| 6 | 65.362 | 32.304 | 2.76882 | 1304.40 | 0 | М |
| 7 | 85.422 | 42.296 | 2.13501 | 2193.83 | 0 | М |
| 8 | 87.391 | 43.276 | 2.08888 | 2291.79 | 1 | М |
| 9 | 89.152 | 44.153 | 2.04941 | 2380.92 | 2 | Ф', М |
| 10 | 101.700 | 50.400 | 1.80904 | 3055.65 | 0 | М |
| 11 | 105.350 | 52.217 | 1.75029 | 3264.23 | 0 | Ф' |
| 12 | 106.300 | 52.690 | 1.73569 | 3319.38 | 0 | М |
| 13 | 109.340 | 54.203 | 1.69075 | 3498.17 | 0 | М |
| 14 | 110.737 | 54.899 | 1.67097 | 3581.48 | 0 | Ф' |
| 15 | 130.213 | 64.590 | 1.44166 | 4811.40 | 0 | М |
| 16 | 142.617 | 70.761 | 1.33031 | 5650.62 | 0 | Ф', М |
Таблица 20. Результаты индицирования рентгенограммы фазы Ф' в образце № 13(II).