Synthesis
Mixture | 1 SiO2 : 0.2 Ba(OH)2 : 0. 35 LiOH : 20 H2O |
SDA | Li+, Ba2+ |
Temperature | 150.00 °C |
Duration | 7 d |
Conditions | static |
Reference |
Yamamoto, Ikeda & Koji (2017): Microporous and Mesoporous Materials, Volume 243, Issue , Pages 239–246. |
Crystal Structure
Structurally nearly identical materials | None |
Crystal chemically related materials | None |
Chemical composition per unit cell | HxLi4.4-xBa3.8 [Si12O30] · 8.5 H2O |
Lattice parameters of the 2D cell of the layer |
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Lattice parameters related to the stacking direction |
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Space group | P-1 |
XRD reflections representing the 2D cell of the layer |
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XRD reflections representing the layer-layer distance |
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Reference |
Yamamoto, Ikeda & Koji (2017): Microporous and Mesoporous Materials, Volume 243, Issue , Pages 239–246. |
Properties
Density (calculated) | 2.879 g/cm3 |
Condensation product |
h | k | l | M | 2θ | Icalc | d-hkl |
---|---|---|---|---|---|---|
0 | 0 | 1 | 2 | 6.892 | 12.8 | 12.815 |
0 | 1 | 0 | 2 | 10.040 | 39.7 | 8.803 |
0 | 1 | -1 | 2 | 10.219 | 79.5 | 8.649 |
1 | -1 | 0 | 2 | 13.139 | 100.0 | 6.733 |
1 | 0 | -1 | 2 | 13.375 | 13.5 | 6.615 |
1 | 0 | 0 | 2 | 13.747 | 49.5 | 6.437 |
0 | 0 | 2 | 2 | 13.810 | 5.3 | 6.407 |
0 | 1 | 1 | 2 | 13.883 | 24.5 | 6.373 |
0 | 1 | -2 | 2 | 14.273 | 5.5 | 6.200 |
1 | -1 | -1 | 2 | 14.380 | 73.8 | 6.155 |
1 | -1 | 1 | 2 | 15.308 | 2.7 | 5.784 |
1 | 0 | -2 | 2 | 16.271 | 5.6 | 5.443 |
1 | 0 | 1 | 2 | 17.180 | 3.2 | 5.157 |
1 | -1 | -2 | 2 | 18.366 | 68.0 | 4.827 |
1 | 1 | -1 | 2 | 18.833 | 12.9 | 4.708 |
. | . | . | . | . | . | |
1 | -2 | 0 | 2 | 18.974 | 78.2 | 4.673 |
0 | 2 | -1 | 2 | 19.113 | 0.3 | 4.640 |
1 | -2 | 1 | 2 | 19.432 | 2.0 | 4.564 |
0 | 1 | 2 | 2 | 19.536 | 7.9 | 4.540 |
1 | -1 | 2 | 2 | 19.819 | 43.5 | 4.476 |
1 | 1 | -2 | 2 | 19.914 | 67.1 | 4.455 |
0 | 1 | -3 | 2 | 20.004 | 0.3 | 4.435 |
0 | 2 | 0 | 2 | 20.157 | 41.0 | 4.402 |
1 | 1 | 0 | 2 | 20.238 | 10.7 | 4.384 |
0 | 2 | -2 | 2 | 20.521 | 36.0 | 4.324 |
0 | 0 | 3 | 2 | 20.778 | 1.9 | 4.272 |
1 | -2 | -1 | 2 | 20.959 | 22.6 | 4.235 |
1 | 0 | -3 | 2 | 21.162 | 14.4 | 4.195 |
1 | -2 | 2 | 2 | 22.186 | 2.5 | 4.004 |
1 | 0 | 2 | 2 | 22.339 | 75.9 | 3.977 |
1 | 1 | -3 | 2 | 23.148 | 0.5 | 3.839 |
0 | 2 | 1 | 2 | 23.340 | 18.3 | 3.808 |
1 | 1 | 1 | 2 | 23.707 | 1.2 | 3.750 |
1 | -1 | -3 | 2 | 23.794 | 0.2 | 3.737 |
0 | 2 | -3 | 2 | 23.970 | 43.4 | 3.710 |
2 | -1 | -1 | 2 | 24.596 | 0.4 | 3.617 |
1 | -2 | -2 | 2 | 24.830 | 24.9 | 3.583 |
2 | -1 | 0 | 2 | 25.086 | 60.6 | 3.547 |
1 | -1 | 3 | 2 | 25.503 | 8.0 | 3.490 |
0 | 1 | 3 | 2 | 25.892 | 42.2 | 3.438 |
2 | -1 | -2 | 2 | 26.050 | 14.5 | 3.418 |
0 | 1 | -4 | 2 | 26.394 | 15.3 | 3.374 |
2 | 0 | -1 | 2 | 26.402 | 11.2 | 3.373 |
2 | -2 | 0 | 2 | 26.454 | 0.7 | 3.367 |
1 | -2 | 3 | 2 | 26.565 | 2.2 | 3.353 |
2 | -2 | -1 | 2 | 26.847 | 1.4 | 3.318 |
2 | 0 | -2 | 2 | 26.936 | 0.6 | 3.307 |
1 | -3 | 1 | 2 | 27.010 | 43.0 | 3.299 |
1 | 0 | -4 | 2 | 27.036 | 23.8 | 3.295 |
1 | 2 | -2 | 2 | 27.147 | 7.4 | 3.282 |
1 | 2 | -1 | 2 | 27.200 | 26.7 | 3.276 |
2 | -1 | 1 | 2 | 27.424 | 0.6 | 3.250 |
1 | -3 | 0 | 2 | 27.516 | 4.2 | 3.239 |
2 | 0 | 0 | 2 | 27.696 | 23.6 | 3.218 |
0 | 0 | 4 | 2 | 27.826 | 88.2 | 3.204 |
1 | 1 | -4 | 2 | 27.831 | 40.6 | 3.203 |
2 | -2 | 1 | 2 | 27.881 | 66.3 | 3.197 |
0 | 2 | 2 | 2 | 27.976 | 0.2 | 3.187 |
1 | -3 | 2 | 2 | 28.294 | 15.7 | 3.152 |
1 | 0 | 3 | 2 | 28.349 | 9.4 | 3.146 |
1 | 1 | 2 | 2 | 28.537 | 26.3 | 3.125 |
0 | 2 | -4 | 2 | 28.774 | 19.8 | 3.100 |
1 | 2 | -3 | 2 | 28.860 | 40.0 | 3.091 |
0 | 3 | -1 | 2 | 28.957 | 35.8 | 3.081 |
2 | -2 | -2 | 2 | 28.993 | 17.6 | 3.077 |
1 | 2 | 0 | 2 | 29.009 | 56.8 | 3.076 |
0 | 3 | -2 | 2 | 29.152 | 9.1 | 3.061 |
2 | -1 | -3 | 2 | 29.179 | 28.7 | 3.058 |
2 | 0 | -3 | 2 | 29.205 | 10.2 | 3.055 |
1 | -3 | -1 | 2 | 29.729 | 31.0 | 3.003 |
1 | -2 | -3 | 2 | 29.909 | 21.2 | 2.985 |
1 | -1 | -4 | 2 | 29.947 | 11.2 | 2.981 |
0 | 3 | 0 | 2 | 30.437 | 0.2 | 2.934 |
2 | 0 | 1 | 2 | 30.605 | 7.1 | 2.919 |
2 | -2 | 2 | 2 | 30.897 | 0.6 | 2.892 |
0 | 3 | -3 | 2 | 30.994 | 0.5 | 2.883 |
1 | -3 | 3 | 2 | 31.166 | 10.6 | 2.867 |
2 | -1 | 2 | 2 | 31.227 | 35.3 | 2.862 |
2 | -3 | 0 | 2 | 31.319 | 18.0 | 2.854 |
2 | 1 | -2 | 2 | 31.352 | 15.5 | 2.851 |
2 | 1 | -1 | 2 | 31.625 | 7.9 | 2.827 |
1 | -1 | 4 | 2 | 31.799 | 1.1 | 2.812 |
2 | -3 | 1 | 2 | 31.833 | 0.4 | 2.809 |
1 | -2 | 4 | 2 | 31.957 | 70.4 | 2.798 |
1 | 2 | -4 | 2 | 32.079 | 0.7 | 2.788 |
1 | 2 | 1 | 2 | 32.304 | 12.3 | 2.769 |
2 | -3 | -1 | 2 | 32.378 | 7.3 | 2.763 |
2 | -2 | -3 | 2 | 32.574 | 35.5 | 2.747 |
0 | 1 | 4 | 2 | 32.610 | 0.0 | 2.744 |
2 | 1 | -3 | 2 | 32.645 | 3.0 | 2.741 |
2 | 0 | -4 | 2 | 32.882 | 40.7 | 2.722 |
0 | 1 | -5 | 2 | 33.134 | 4.8 | 2.702 |
1 | -3 | -2 | 2 | 33.340 | 0.8 | 2.685 |
0 | 3 | 1 | 2 | 33.391 | 24.8 | 2.681 |
1 | 1 | -5 | 2 | 33.414 | 3.4 | 2.680 |
2 | 1 | 0 | 2 | 33.431 | 0.8 | 2.678 |
1 | 0 | -5 | 2 | 33.443 | 1.8 | 2.677 |
0 | 2 | 3 | 2 | 33.524 | 0.0 | 2.671 |
2 | -1 | -4 | 2 | 33.557 | 15.4 | 2.668 |
2 | -3 | 2 | 2 | 33.856 | 8.9 | 2.646 |
1 | 1 | 3 | 2 | 34.213 | 35.0 | 2.619 |
0 | 3 | -4 | 2 | 34.243 | 11.1 | 2.617 |
0 | 2 | -5 | 2 | 34.429 | 0.2 | 2.603 |
2 | 0 | 2 | 2 | 34.762 | 0.7 | 2.579 |
1 | 0 | 4 | 2 | 34.842 | 3.6 | 2.573 |
2 | -3 | -2 | 2 | 34.882 | 2.9 | 2.570 |
0 | 0 | 5 | 2 | 34.982 | 1.7 | 2.563 |
2 | -2 | 3 | 2 | 35.134 | 2.2 | 2.552 |
1 | -3 | 4 | 2 | 35.278 | 0.1 | 2.542 |
2 | 1 | -4 | 2 | 35.352 | 10.4 | 2.537 |
1 | -2 | -4 | 2 | 35.744 | 0.2 | 2.510 |
1 | 3 | -2 | 2 | 36.017 | 8.6 | 2.492 |
1 | -4 | 1 | 2 | 36.080 | 18.6 | 2.487 |
2 | -1 | 3 | 2 | 36.083 | 1.3 | 2.487 |
1 | -4 | 2 | 2 | 36.441 | 3.2 | 2.464 |
1 | 2 | -5 | 2 | 36.450 | 9.1 | 2.463 |
1 | -1 | -5 | 2 | 36.532 | 1.8 | 2.458 |
2 | 1 | 1 | 2 | 36.568 | 2.6 | 2.455 |
1 | 3 | -1 | 2 | 36.702 | 0.1 | 2.447 |
1 | 3 | -3 | 2 | 36.728 | 0.4 | 2.445 |
1 | 2 | 2 | 2 | 36.732 | 0.0 | 2.445 |
1 | -4 | 0 | 2 | 37.111 | 0.0 | 2.421 |
2 | -3 | 3 | 2 | 37.171 | 0.1 | 2.417 |
2 | -2 | -4 | 2 | 37.226 | 4.3 | 2.413 |
3 | -2 | -1 | 2 | 37.505 | 0.1 | 2.396 |
0 | 3 | 2 | 2 | 37.512 | 0.2 | 2.396 |
3 | -1 | -1 | 2 | 37.573 | 0.8 | 2.392 |
2 | 0 | -5 | 2 | 37.604 | 1.6 | 2.390 |
3 | -1 | -2 | 2 | 37.771 | 2.1 | 2.380 |
1 | -3 | -3 | 2 | 38.000 | 12.8 | 2.366 |
1 | -2 | 5 | 2 | 38.001 | 0.3 | 2.366 |
3 | -2 | 0 | 2 | 38.035 | 22.1 | 2.364 |
1 | -4 | 3 | 2 | 38.160 | 2.3 | 2.356 |
2 | 2 | -2 | 2 | 38.201 | 7.5 | 2.354 |
2 | -4 | 1 | 2 | 38.313 | 24.8 | 2.347 |
3 | -2 | -2 | 2 | 38.324 | 13.3 | 2.347 |
1 | -1 | 5 | 2 | 38.484 | 1.7 | 2.337 |
2 | -4 | 0 | 2 | 38.495 | 2.4 | 2.337 |
2 | -3 | -3 | 2 | 38.587 | 0.1 | 2.331 |
0 | 3 | -5 | 2 | 38.589 | 3.8 | 2.331 |
2 | 2 | -3 | 2 | 38.688 | 3.7 | 2.325 |
3 | -1 | 0 | 2 | 38.718 | 2.9 | 2.324 |
1 | 3 | 0 | 2 | 38.721 | 0.4 | 2.324 |
1 | 3 | -4 | 2 | 38.770 | 4.8 | 2.321 |
0 | 4 | -2 | 2 | 38.786 | 0.1 | 2.320 |
2 | -1 | -5 | 2 | 38.820 | 1.2 | 2.318 |
2 | 2 | -1 | 2 | 39.043 | 7.7 | 2.305 |
2 | 1 | -5 | 2 | 39.218 | 0.2 | 2.295 |
0 | 4 | -1 | 2 | 39.243 | 11.6 | 2.294 |
3 | -1 | -3 | 2 | 39.294 | 1.1 | 2.291 |
1 | -4 | -1 | 2 | 39.440 | 3.8 | 2.283 |
2 | -4 | 2 | 2 | 39.452 | 0.3 | 2.282 |
0 | 1 | 5 | 2 | 39.588 | 7.1 | 2.275 |
1 | 1 | -6 | 2 | 39.588 | 29.3 | 2.275 |
0 | 4 | -3 | 2 | 39.641 | 22.8 | 2.272 |
0 | 2 | 4 | 2 | 39.671 | 12.8 | 2.270 |
2 | 0 | 3 | 2 | 39.835 | 13.8 | 2.261 |
3 | -2 | 1 | 2 | 39.869 | 4.1 | 2.259 |
2 | -4 | -1 | 2 | 39.983 | 11.0 | 2.253 |
3 | 0 | -2 | 2 | 40.023 | 38.7 | 2.251 |
0 | 1 | -6 | 2 | 40.131 | 8.8 | 2.245 |
3 | -3 | 0 | 2 | 40.146 | 5.5 | 2.244 |
1 | 0 | -6 | 2 | 40.210 | 0.6 | 2.241 |
3 | -3 | -1 | 2 | 40.235 | 10.2 | 2.240 |
2 | -2 | 4 | 2 | 40.264 | 3.5 | 2.238 |
Atom | x | y | z | Biso | Occ. | |
---|---|---|---|---|---|---|
Si1 | 0.3580 | 0.0687 | 0.3168 | 0.02 | 1.000 | |
Si2 | 0.1190 | 0.7308 | 0.2841 | 0.02 | 1.000 | |
Si3 | 0.3670 | 0.5625 | 0.2930 | 0.02 | 1.000 | |
Si4 | 0.7500 | 0.2790 | 0.2957 | 0.02 | 1.000 | |
Si5 | 0.1010 | 0.2239 | 0.2269 | 0.02 | 1.000 | |
Si6 | 0.6690 | 0.5069 | 0.1884 | 0.02 | 1.000 | |
O1 | 0.7940 | 0.3530 | 0.4140 | 0.02 | 1.000 | |
O2 | 0.5220 | 0.4490 | 0.0760 | 0.02 | 1.000 | |
O3 | 0.5270 | 0.1240 | 0.2550 | 0.02 | 1.000 | |
O4 | 0.2830 | 0.6730 | 0.2610 | 0.02 | 1.000 | |
O5 | 0.1950 | 0.8930 | 0.2550 | 0.02 | 1.000 | |
O6 | 0.3360 | 0.5370 | 0.3970 | 0.02 | 1.000 | |
O7 | 0.4440 | 0.0830 | 0.4360 | 0.02 | 1.000 | |
O8 | 0.2280 | 0.1610 | 0.3000 | 0.02 | 1.000 | |
O9 | 0.9230 | 0.2190 | 0.2860 | 0.02 | 1.000 | |
O10 | 0.2450 | 0.3860 | 0.2090 | 0.02 | 1.000 | |
O11 | 0.0240 | 0.0900 | 0.1100 | 0.02 | 1.000 | |
O12 | 0.6040 | 0.6070 | 0.2750 | 0.02 | 1.000 | |
O13 | 0.8860 | 0.6270 | 0.1990 | 0.02 | 1.000 | |
O14 | 0.1130 | 0.7660 | 0.4050 | 0.02 | 1.000 | |
O15 | 0.7330 | 0.3730 | 0.2180 | 0.02 | 1.000 | |
Ba1 | 0.8998 | 0.8111 | 0.0365 | 0.02 | 0.500 | |
Ba2 | 0.1822 | 0.3496 | 0.5049 | 0.01 | 0.912 | |
WO1 | 0.8140 | 0.9600 | 0.4360 | 0.06 | 0.970 | |
WO2 | 0.5040 | 0.5790 | 0.6130 | 0.06 | 0.350 | |
WO3 | 0.5230 | -0.0150 | 0.8470 | 0.06 | 0.280 | |
WO4 | 0.3590 | 0.1500 | 0.8120 | 0.06 | 1.000 | |
WO5 | 0.6400 | 0.2800 | 0.1520 | 0.06 | 0.150 | |
WO6 | 0.1840 | 0.7020 | 0.0090 | 0.06 | 1.000 | |
WO7 | 0.3610 | 0.0280 | 0.0480 | 0.06 | 0.510 | |
Ba1b | 0.8469 | 0.7845 | 0.0354 | 0.02 | 0.500 |
User Cell Range (natural numbers 1-5):