Synthesis
Mixture | 4.7 SiO2 : 0.0036 SDA : 1.67 NaOH : 15.8 (1,4-)dioxane : 75 H2O |
SDA | Tetramethylammonium hydroxide |
Temperature | 150.00 °C |
Duration | 5 d |
Conditions | static |
Reference |
Ikeda, Kawai, Akiyama & Mizukami (2004): Materials Chemistry and Physics, Volume 86, Issue 1, Pages 112-122. |
Crystal Structure
Structurally nearly identical materials | |
Crystal chemically related materials | None |
Chemical composition per unit cell | [(CH3)4N]2Na2[Si10O20(OH)4] * 5.53 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 | Amm2 |
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 |
Ikeda, Kawai, Akiyama & Mizukami (2004): Materials Chemistry and Physics, Volume 86, Issue 1, Pages 112-122. |
Properties
Density (calculated) | 1.783 g/cm3 |
Condensation product | amorphous |
h | k | l | M | 2θ | Icalc | d-hkl |
---|---|---|---|---|---|---|
2 | 0 | 0 | 2 | 7.738 | 100.0 | 11.416 |
0 | 1 | 1 | 4 | 10.018 | 0.0 | 8.822 |
1 | 1 | 1 | 8 | 10.742 | 95.5 | 8.229 |
3 | 0 | 0 | 2 | 11.618 | 0.0 | 7.611 |
2 | 1 | 1 | 8 | 12.671 | 0.3 | 6.981 |
0 | 2 | 0 | 2 | 14.129 | 11.7 | 6.263 |
0 | 0 | 2 | 2 | 14.243 | 23.4 | 6.213 |
1 | 2 | 0 | 4 | 14.654 | 0.0 | 6.040 |
1 | 0 | 2 | 4 | 14.764 | 0.6 | 5.995 |
3 | 1 | 1 | 8 | 15.363 | 59.7 | 5.763 |
4 | 0 | 0 | 2 | 15.511 | 56.5 | 5.708 |
2 | 2 | 0 | 4 | 16.128 | 11.9 | 5.491 |
2 | 0 | 2 | 4 | 16.229 | 3.1 | 5.457 |
3 | 2 | 0 | 4 | 18.330 | 0.5 | 4.836 |
3 | 0 | 2 | 4 | 18.419 | 0.0 | 4.813 |
. | . | . | . | . | . | |
4 | 1 | 1 | 8 | 18.499 | 0.2 | 4.792 |
5 | 0 | 0 | 2 | 19.423 | 1.2 | 4.567 |
0 | 2 | 2 | 4 | 20.115 | 52.2 | 4.411 |
1 | 2 | 2 | 8 | 20.490 | 1.1 | 4.331 |
4 | 2 | 0 | 4 | 21.041 | 25.1 | 4.219 |
4 | 0 | 2 | 4 | 21.118 | 34.6 | 4.204 |
2 | 2 | 2 | 8 | 21.581 | 31.6 | 4.115 |
5 | 1 | 1 | 8 | 21.899 | 8.1 | 4.055 |
0 | 3 | 1 | 4 | 22.445 | 0.0 | 3.958 |
0 | 1 | 3 | 4 | 22.591 | 0.0 | 3.933 |
1 | 3 | 1 | 8 | 22.784 | 63.0 | 3.900 |
1 | 1 | 3 | 8 | 22.928 | 94.7 | 3.876 |
3 | 2 | 2 | 8 | 23.289 | 0.0 | 3.816 |
6 | 0 | 0 | 2 | 23.357 | 47.0 | 3.805 |
2 | 3 | 1 | 8 | 23.774 | 3.4 | 3.740 |
2 | 1 | 3 | 8 | 23.913 | 3.1 | 3.718 |
5 | 2 | 0 | 4 | 24.099 | 0.4 | 3.690 |
5 | 0 | 2 | 4 | 24.168 | 0.7 | 3.680 |
3 | 3 | 1 | 8 | 25.343 | 88.1 | 3.512 |
6 | 1 | 1 | 8 | 25.471 | 68.8 | 3.494 |
3 | 1 | 3 | 8 | 25.474 | 18.5 | 3.494 |
4 | 2 | 2 | 8 | 25.500 | 1.4 | 3.490 |
7 | 0 | 0 | 2 | 27.320 | 0.3 | 3.262 |
4 | 3 | 1 | 8 | 27.399 | 21.3 | 3.253 |
6 | 2 | 0 | 4 | 27.402 | 4.2 | 3.252 |
6 | 0 | 2 | 4 | 27.463 | 27.0 | 3.245 |
4 | 1 | 3 | 8 | 27.520 | 0.1 | 3.239 |
5 | 2 | 2 | 8 | 28.103 | 0.0 | 3.173 |
0 | 4 | 0 | 2 | 28.479 | 17.5 | 3.132 |
0 | 0 | 4 | 2 | 28.713 | 10.7 | 3.107 |
1 | 4 | 0 | 4 | 28.752 | 3.4 | 3.103 |
1 | 0 | 4 | 4 | 28.983 | 0.0 | 3.078 |
7 | 1 | 1 | 8 | 29.166 | 25.4 | 3.059 |
2 | 4 | 0 | 4 | 29.555 | 1.9 | 3.020 |
2 | 0 | 4 | 4 | 29.781 | 3.9 | 2.998 |
5 | 3 | 1 | 8 | 29.849 | 0.0 | 2.991 |
5 | 1 | 3 | 8 | 29.961 | 1.3 | 2.980 |
0 | 3 | 3 | 4 | 30.372 | 0.7 | 2.941 |
1 | 3 | 3 | 8 | 30.629 | 19.0 | 2.917 |
7 | 2 | 0 | 4 | 30.884 | 0.0 | 2.893 |
7 | 0 | 2 | 4 | 30.939 | 0.0 | 2.888 |
6 | 2 | 2 | 8 | 31.012 | 24.4 | 2.881 |
3 | 0 | 4 | 4 | 31.069 | 3.8 | 2.876 |
8 | 0 | 0 | 2 | 31.316 | 13.6 | 2.854 |
2 | 3 | 3 | 8 | 31.388 | 0.4 | 2.848 |
0 | 4 | 2 | 4 | 31.978 | 0.9 | 2.796 |
0 | 2 | 4 | 4 | 32.136 | 1.5 | 2.783 |
1 | 4 | 2 | 8 | 32.224 | 0.4 | 2.776 |
1 | 2 | 4 | 8 | 32.381 | 0.0 | 2.763 |
4 | 4 | 0 | 4 | 32.588 | 5.5 | 2.746 |
6 | 3 | 1 | 8 | 32.616 | 19.2 | 2.743 |
3 | 3 | 3 | 8 | 32.619 | 3.2 | 2.743 |
6 | 1 | 3 | 8 | 32.720 | 0.3 | 2.735 |
4 | 0 | 4 | 4 | 32.795 | 21.6 | 2.729 |
2 | 4 | 2 | 8 | 32.950 | 4.3 | 2.716 |
8 | 1 | 1 | 8 | 32.958 | 6.4 | 2.716 |
2 | 2 | 4 | 8 | 33.104 | 11.6 | 2.704 |
3 | 4 | 2 | 8 | 34.131 | 0.8 | 2.625 |
7 | 2 | 2 | 8 | 34.161 | 0.1 | 2.623 |
4 | 3 | 3 | 8 | 34.275 | 0.2 | 2.614 |
3 | 2 | 4 | 8 | 34.280 | 0.6 | 2.614 |
8 | 2 | 0 | 4 | 34.506 | 1.2 | 2.597 |
8 | 0 | 2 | 4 | 34.556 | 0.8 | 2.594 |
5 | 4 | 0 | 4 | 34.706 | 0.7 | 2.583 |
5 | 0 | 4 | 4 | 34.902 | 0.5 | 2.569 |
9 | 0 | 0 | 2 | 35.352 | 0.7 | 2.537 |
7 | 3 | 1 | 8 | 35.639 | 2.5 | 2.517 |
4 | 4 | 2 | 8 | 35.725 | 1.4 | 2.511 |
7 | 1 | 3 | 8 | 35.735 | 1.3 | 2.511 |
4 | 2 | 4 | 8 | 35.869 | 2.9 | 2.502 |
5 | 3 | 3 | 8 | 36.307 | 1.8 | 2.472 |
0 | 5 | 1 | 4 | 36.560 | 1.0 | 2.456 |
1 | 5 | 1 | 8 | 36.778 | 0.1 | 2.442 |
9 | 1 | 1 | 8 | 36.835 | 0.0 | 2.438 |
0 | 1 | 5 | 4 | 36.840 | 5.7 | 2.438 |
Atom | x | y | z | Biso | Occ. | |
---|---|---|---|---|---|---|
Si1 | 0.1514 | -0.1305 | -0.1855 | 1.27 | 1.000 | |
Si1b | 0.6506 | -0.1221 | 0.3100 | 1.27 | 1.000 | |
Si2 | 0.1521 | 0.1217 | 0.0651 | 1.27 | 1.000 | |
Si2b | 0.6527 | 0.1254 | 0.5603 | 1.27 | 1.000 | |
Si3 | 0.2498 | 0.2514 | 0.1844 | 1.27 | 1.000 | |
O1 | 0.1549 | 0.0000 | 0.0820 | 3.29 | 1.000 | |
O2 | 0.1542 | 0.1511 | -0.0742 | 3.29 | 1.000 | |
O3 | 0.1521 | 0.0000 | -0.2101 | 3.29 | 1.000 | |
O4 | 0.2108 | 0.1769 | 0.1206 | 3.29 | 1.000 | |
O5 | 0.2099 | -0.1820 | -0.2402 | 3.29 | 1.000 | |
O6 | 0.1011 | -0.1815 | -0.2330 | 2.02 | 1.000 | |
O7 | 0.0994 | 0.1698 | 0.1168 | 2.02 | 1.000 | |
O1b | 0.6501 | 0.0000 | 0.5810 | 3.29 | 1.000 | |
O2b | 0.6511 | 0.1456 | 0.4265 | 3.29 | 1.000 | |
O3b | 0.6567 | 0.0000 | 0.2900 | 3.29 | 1.000 | |
O4b | 0.7130 | 0.1725 | 0.6047 | 3.29 | 1.000 | |
O5b | 0.7083 | -0.1797 | 0.2583 | 3.29 | 1.000 | |
O6b | 0.5869 | -0.1716 | 0.2565 | 2.02 | 1.000 | |
O7b | 0.6024 | 0.1823 | 0.6148 | 2.02 | 1.000 | |
Na1 | 0.0000 | 0.2228 | 0.0440 | 6.40 | 1.000 | |
Na2 | 0.5780 | 0.0674 | 0.0450 | 6.40 | 1.000 | |
C1 | 0.3360 | 0.5000 | 0.3230 | 3.00 | 1.000 | |
C2 | 0.2900 | 0.5000 | 0.4910 | 3.00 | 1.000 | |
C3 | 0.3837 | 0.4000 | 0.4520 | 3.00 | 1.000 | |
C4 | 0.4160 | 0.5000 | 0.4360 | 3.00 | 1.000 | |
C5 | 0.3240 | 0.5990 | 0.4780 | 3.00 | 1.000 | |
N1 | 0.3486 | 0.5000 | 0.4240 | 3.00 | 1.000 | |
C1b | 0.8070 | 0.5000 | 0.8810 | 3.00 | 1.000 | |
C2b | 0.8476 | 0.5000 | 0.0520 | 3.00 | 1.000 | |
C3b | 0.8890 | 0.4240 | 0.9310 | 3.00 | 1.000 | |
C4b | 0.9110 | 0.5000 | 0.8880 | 3.00 | 1.000 | |
C5b | 0.8600 | 0.5890 | 0.0149 | 3.00 | 1.000 | |
N2 | 0.8613 | 0.5000 | -0.0490 | 3.00 | 1.000 | |
WO1 | 0.0000 | 0.3610 | 0.1140 | 2.60 | 0.692 | |
WO2 | 0.0000 | 0.0520 | 0.2140 | 2.60 | 0.692 | |
WO3 | 0.0000 | -0.3980 | 0.2390 | 2.60 | 0.692 | |
WO4 | 0.0000 | 0.0862 | -0.0950 | 2.60 | 0.692 | |
WO1b | 0.5000 | 0.1710 | 0.4540 | 2.60 | 0.692 | |
WO2b | 0.5000 | 0.0600 | 0.6950 | 2.60 | 0.692 | |
WO3b | 0.5000 | -0.3890 | 0.7390 | 2.60 | 0.692 | |
WO4b | 0.5000 | 0.1610 | 0.5830 | 2.60 | 0.692 |
User Cell Range (natural numbers 1-5):