Synthesis
Mixture | 1 SiO2 : 0.5 SDA : 7.5-15 H2O |
SDA | Tetraethylammonium hydroxide |
Temperature | 160.00 °C |
Duration | 12 d |
Conditions | static |
Reference |
Takahashi, Kurita, Ikeda, Miyamoto, Uemiya & Oumi (2016): Dalton Transactions, Volume 45, Issue 41, Pages 16335-16344. |
Crystal Structure
Structurally nearly identical materials | None |
Crystal chemically related materials | None |
Chemical composition per unit cell | (C8H20NOH)2 [Si20O36(OH)8] |
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 | P2(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 |
Takahashi, Kurita, Ikeda, Miyamoto, Uemiya & Oumi (2016): Dalton Transactions, Volume 45, Issue 41, Pages 16335-16344. |
Properties
Density (calculated) | 1.945 g/cm3 |
Condensation product | PML-1 |
h | k | l | M | 2θ | Icalc | d-hkl |
---|---|---|---|---|---|---|
0 | 2 | 0 | 2 | 8.430 | 100.0 | 10.480 |
0 | 0 | 1 | 2 | 10.315 | 13.4 | 8.569 |
0 | 1 | 1 | 4 | 11.147 | 0.2 | 7.932 |
-1 | 0 | 1 | 2 | 12.765 | 8.3 | 6.929 |
1 | 0 | 0 | 2 | 13.133 | 0.0 | 6.736 |
0 | 2 | 1 | 4 | 13.336 | 1.6 | 6.634 |
-1 | 1 | 1 | 4 | 13.447 | 0.0 | 6.579 |
1 | 1 | 0 | 4 | 13.798 | 0.0 | 6.413 |
-1 | 2 | 1 | 4 | 15.317 | 2.7 | 5.780 |
1 | 2 | 0 | 4 | 15.626 | 4.7 | 5.666 |
0 | 3 | 1 | 4 | 16.357 | 0.2 | 5.415 |
0 | 4 | 0 | 2 | 16.906 | 0.2 | 5.240 |
-1 | 3 | 1 | 4 | 18.015 | 23.2 | 4.920 |
1 | 3 | 0 | 4 | 18.280 | 15.7 | 4.849 |
-1 | 0 | 2 | 2 | 19.196 | 0.5 | 4.620 |
. | . | . | . | . | . | |
-1 | 1 | 2 | 4 | 19.661 | 1.5 | 4.512 |
0 | 4 | 1 | 4 | 19.844 | 25.2 | 4.470 |
1 | 0 | 1 | 2 | 19.935 | 0.6 | 4.450 |
1 | 1 | 1 | 4 | 20.384 | 2.2 | 4.353 |
0 | 0 | 2 | 2 | 20.716 | 2.4 | 4.284 |
-1 | 2 | 2 | 4 | 20.998 | 4.4 | 4.227 |
0 | 1 | 2 | 4 | 21.149 | 1.0 | 4.198 |
-1 | 4 | 1 | 4 | 21.241 | 6.5 | 4.180 |
1 | 4 | 0 | 4 | 21.467 | 0.7 | 4.136 |
1 | 2 | 1 | 4 | 21.678 | 10.5 | 4.096 |
0 | 2 | 2 | 4 | 22.400 | 20.3 | 3.966 |
-1 | 3 | 2 | 4 | 23.061 | 4.5 | 3.854 |
0 | 5 | 1 | 4 | 23.608 | 1.0 | 3.766 |
1 | 3 | 1 | 4 | 23.685 | 0.8 | 3.754 |
-2 | 0 | 1 | 2 | 23.876 | 1.8 | 3.724 |
-2 | 1 | 1 | 4 | 24.256 | 12.0 | 3.666 |
0 | 3 | 2 | 4 | 24.351 | 0.8 | 3.652 |
-1 | 5 | 1 | 4 | 24.803 | 4.3 | 3.587 |
1 | 5 | 0 | 4 | 24.999 | 9.3 | 3.559 |
-2 | 2 | 1 | 4 | 25.362 | 1.6 | 3.509 |
0 | 6 | 0 | 2 | 25.477 | 0.4 | 3.493 |
-1 | 4 | 2 | 4 | 25.686 | 13.4 | 3.465 |
-2 | 0 | 2 | 2 | 25.692 | 5.6 | 3.465 |
-2 | 1 | 2 | 4 | 26.047 | 0.5 | 3.418 |
1 | 4 | 1 | 4 | 26.251 | 2.3 | 3.392 |
2 | 0 | 0 | 2 | 26.443 | 6.8 | 3.368 |
2 | 1 | 0 | 4 | 26.788 | 1.9 | 3.325 |
0 | 4 | 2 | 4 | 26.858 | 18.2 | 3.317 |
-2 | 2 | 2 | 4 | 27.085 | 2.9 | 3.290 |
-2 | 3 | 1 | 4 | 27.113 | 19.1 | 3.286 |
0 | 6 | 1 | 4 | 27.551 | 2.5 | 3.235 |
2 | 2 | 0 | 4 | 27.801 | 1.3 | 3.206 |
-1 | 0 | 3 | 2 | 28.214 | 2.8 | 3.160 |
-1 | 1 | 3 | 4 | 28.540 | 0.6 | 3.125 |
-1 | 6 | 1 | 4 | 28.593 | 0.5 | 3.119 |
-1 | 5 | 2 | 4 | 28.733 | 0.4 | 3.105 |
-2 | 3 | 2 | 4 | 28.738 | 0.0 | 3.104 |
1 | 6 | 0 | 4 | 28.765 | 0.4 | 3.101 |
1 | 0 | 2 | 2 | 29.075 | 1.6 | 3.069 |
1 | 5 | 1 | 4 | 29.244 | 0.3 | 3.051 |
1 | 1 | 2 | 4 | 29.392 | 0.3 | 3.036 |
-2 | 4 | 1 | 4 | 29.401 | 0.0 | 3.035 |
2 | 3 | 0 | 4 | 29.417 | 0.1 | 3.034 |
-1 | 2 | 3 | 4 | 29.497 | 3.3 | 3.026 |
0 | 5 | 2 | 4 | 29.794 | 0.2 | 2.996 |
1 | 2 | 2 | 4 | 30.324 | 1.4 | 2.945 |
-2 | 4 | 2 | 4 | 30.916 | 0.3 | 2.890 |
-1 | 3 | 3 | 4 | 31.032 | 0.8 | 2.880 |
-2 | 0 | 3 | 2 | 31.182 | 0.3 | 2.866 |
0 | 0 | 3 | 2 | 31.292 | 7.4 | 2.856 |
-2 | 1 | 3 | 4 | 31.479 | 0.2 | 2.840 |
2 | 4 | 0 | 4 | 31.552 | 0.2 | 2.833 |
0 | 1 | 3 | 4 | 31.588 | 0.2 | 2.830 |
0 | 7 | 1 | 4 | 31.627 | 0.3 | 2.827 |
1 | 3 | 2 | 4 | 31.823 | 2.1 | 2.810 |
-1 | 6 | 2 | 4 | 32.096 | 0.9 | 2.786 |
-2 | 5 | 1 | 4 | 32.125 | 0.4 | 2.784 |
-2 | 2 | 3 | 4 | 32.358 | 0.2 | 2.765 |
2 | 0 | 1 | 2 | 32.434 | 1.0 | 2.758 |
0 | 2 | 3 | 4 | 32.464 | 0.4 | 2.756 |
-1 | 7 | 1 | 4 | 32.549 | 0.1 | 2.749 |
1 | 6 | 1 | 4 | 32.559 | 2.4 | 2.748 |
1 | 7 | 0 | 4 | 32.702 | 3.1 | 2.736 |
2 | 1 | 1 | 4 | 32.721 | 0.9 | 2.735 |
0 | 6 | 2 | 4 | 33.059 | 0.4 | 2.707 |
-1 | 4 | 3 | 4 | 33.074 | 4.4 | 2.706 |
-2 | 5 | 2 | 4 | 33.529 | 0.9 | 2.671 |
2 | 2 | 1 | 4 | 33.571 | 0.1 | 2.667 |
-2 | 3 | 3 | 4 | 33.776 | 0.7 | 2.652 |
1 | 4 | 2 | 4 | 33.822 | 0.7 | 2.648 |
0 | 3 | 3 | 4 | 33.878 | 0.1 | 2.644 |
2 | 5 | 0 | 4 | 34.121 | 1.5 | 2.626 |
0 | 8 | 0 | 2 | 34.195 | 1.0 | 2.620 |
2 | 3 | 1 | 4 | 34.945 | 0.6 | 2.566 |
-2 | 6 | 1 | 4 | 35.196 | 0.2 | 2.548 |
-1 | 5 | 3 | 4 | 35.545 | 1.0 | 2.524 |
-2 | 4 | 3 | 4 | 35.678 | 0.0 | 2.515 |
-1 | 7 | 2 | 4 | 35.704 | 0.2 | 2.513 |
0 | 4 | 3 | 4 | 35.775 | 0.3 | 2.508 |
0 | 8 | 1 | 4 | 35.810 | 1.0 | 2.506 |
1 | 7 | 1 | 4 | 36.126 | 0.4 | 2.484 |
1 | 5 | 2 | 4 | 36.249 | 1.3 | 2.476 |
-3 | 0 | 2 | 2 | 36.335 | 0.5 | 2.471 |
-2 | 6 | 2 | 4 | 36.496 | 0.4 | 2.460 |
0 | 7 | 2 | 4 | 36.583 | 0.0 | 2.454 |
-3 | 1 | 2 | 4 | 36.595 | 0.0 | 2.454 |
-1 | 8 | 1 | 4 | 36.639 | 0.3 | 2.451 |
-3 | 0 | 1 | 2 | 36.751 | 0.2 | 2.444 |
1 | 8 | 0 | 4 | 36.777 | 2.7 | 2.442 |
2 | 4 | 1 | 4 | 36.794 | 0.2 | 2.441 |
Atom | x | y | z | Biso | Occ. | |
---|---|---|---|---|---|---|
Si1 | 0.9150 | 0.2894 | 0.1730 | 1.31 | 1.000 | |
Si2 | 0.0780 | 0.1964 | 0.8190 | 1.31 | 1.000 | |
Si3 | 0.2000 | 0.3592 | 0.4610 | 1.31 | 1.000 | |
Si4 | 0.8110 | 0.1273 | 0.5450 | 1.31 | 1.000 | |
Si5 | 0.6390 | 0.3750 | 0.5330 | 1.31 | 1.000 | |
Si6 | 0.3530 | 0.1158 | 0.4660 | 1.31 | 1.000 | |
Si7 | 0.7610 | 0.2939 | 0.8180 | 1.31 | 1.000 | |
Si8 | 0.2350 | 0.1922 | 0.1800 | 1.31 | 1.000 | |
Si9 | 0.6630 | 0.2479 | 0.3430 | 1.31 | 1.000 | |
Si10 | 0.3480 | 0.2331 | 0.6640 | 1.31 | 1.000 | |
O1 | 0.7320 | 0.4400 | 0.5120 | 1.50 | 1.000 | |
O2 | 0.2520 | 0.0593 | 0.5130 | 1.50 | 1.000 | |
O3 | 0.2440 | 0.2956 | 0.5740 | 1.50 | 1.000 | |
O4 | 0.7840 | 0.1918 | 0.4530 | 1.50 | 1.000 | |
O5 | 0.9590 | 0.2591 | 0.8130 | 1.50 | 1.000 | |
O6 | 0.0660 | 0.2374 | 0.1770 | 1.50 | 1.000 | |
O7 | 0.7460 | 0.2585 | 0.2080 | 1.50 | 1.000 | |
O8 | 0.2540 | 0.2099 | 0.7750 | 1.50 | 1.000 | |
O9 | 0.0190 | 0.3480 | 0.2820 | 1.50 | 1.000 | |
O10 | 0.9410 | 0.1399 | 0.7240 | 1.50 | 1.000 | |
O11 | 0.7040 | 0.3574 | 0.7200 | 1.50 | 1.000 | |
O12 | 0.2530 | 0.1291 | 0.2770 | 1.50 | 1.000 | |
O13 | 0.6830 | 0.3162 | 0.4380 | 1.50 | 1.000 | |
O14 | 0.3130 | 0.1772 | 0.5440 | 1.50 | 1.000 | |
O15 | 0.1300 | 0.4129 | 0.5420 | 1.50 | 1.000 | |
O16 | 0.9260 | 0.0761 | 0.4960 | 1.50 | 1.000 | |
O17 | 0.8130 | 0.3141 | 1.0000 | 1.50 | 1.000 | |
O18 | 0.1770 | 0.1745 | 0.0060 | 1.50 | 1.000 | |
O19 | 0.5770 | 0.2484 | 0.7630 | 1.50 | 1.000 | |
O20 | 0.4350 | 0.2310 | 0.2510 | 1.50 | 1.000 | |
O21 | 0.4080 | 0.3860 | 0.4570 | 1.50 | 1.000 | |
O22 | 0.5840 | 0.1042 | 0.5150 | 1.50 | 1.000 | |
C1 | 0.6490 | 0.9990 | 0.8400 | 6.47 | 1.000 | |
C2 | 0.4430 | 0.9870 | 0.9780 | 6.47 | 1.000 | |
C3 | 0.7560 | 0.9320 | 0.0710 | 6.47 | 1.000 | |
C4 | 0.7550 | 0.0440 | 0.1030 | 6.47 | 1.000 | |
C5 | 0.6630 | 0.8690 | 0.9770 | 6.47 | 1.000 | |
C6 | 0.4190 | 0.0140 | 0.1230 | 6.47 | 1.000 | |
C7 | 0.8450 | 0.0200 | 0.8420 | 6.47 | 1.000 | |
C8 | 0.6490 | 0.1110 | 0.0520 | 6.47 | 1.000 | |
H1 | 0.6050 | 0.9550 | 0.7820 | 6.47 | 1.000 | |
H2 | 0.5330 | 1.0320 | 0.7790 | 6.47 | 1.000 | |
H3 | 0.3550 | 0.0180 | 0.8800 | 6.47 | 1.000 | |
H4 | 0.3800 | 0.9380 | 0.9500 | 6.47 | 1.000 | |
H5 | 0.9040 | 0.9390 | 0.0920 | 6.47 | 1.000 | |
H6 | 0.7540 | 0.9300 | 0.1880 | 6.47 | 1.000 | |
H7 | 0.7600 | 0.0340 | 0.2130 | 6.47 | 1.000 | |
H8 | 0.9000 | 0.0450 | 0.1130 | 6.47 | 1.000 | |
H9 | 0.6300 | 0.8700 | 0.8500 | 6.47 | 1.000 | |
H10 | 0.7500 | 0.8260 | 1.0300 | 6.47 | 1.000 | |
H11 | 0.5200 | 0.8620 | 0.9800 | 6.47 | 1.000 | |
H12 | 0.5200 | 0.9900 | 0.2200 | 6.47 | 1.000 | |
H13 | 0.4400 | 0.0660 | 0.1400 | 6.47 | 1.000 | |
H14 | 0.2600 | 1.0000 | 0.1000 | 6.47 | 1.000 | |
H15 | 0.8100 | 0.0310 | 0.7190 | 6.47 | 1.000 | |
H16 | 0.8900 | 0.0660 | 0.9100 | 6.47 | 1.000 | |
H17 | 0.9600 | 0.9840 | 0.8900 | 6.47 | 1.000 | |
H18 | 0.6300 | 0.1200 | 0.9300 | 6.47 | 1.000 | |
H19 | 0.7300 | 0.1500 | 0.1400 | 6.47 | 1.000 | |
H20 | 0.5000 | 0.1100 | 0.0500 | 6.47 | 1.000 | |
N1 | 0.6520 | 0.9910 | 0.0010 | 6.47 | 1.000 | |
OH | 0.0010 | 0.0943 | 0.1130 | 5.00 | 1.000 |
User Cell Range (natural numbers 1-5):