Supporting Information
Table of calculated structure factors squared, and observed structure factors squared with esds
for
Crystallinity of Large Single Crystals of FAU-type Zeolites with a Wide Range of Si/Al Ratios
by
Woo Taik Lim,a* Sung Man Seo,a Tatsuya Okubob, and Man Parkc*
aDepartment of Applied Chemistry, Andong National University, Andong 760-749, Korea
bDepartment of Chemical System Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan
cDepartment of Agricultural Chemistry, Kyungpook National University, Daegu 702-701, Korea
h / k / l / Fcal^2 / Fobs^2 / s(Fobs^2) / h / k / l / Fcal^2 / Fobs^2 / s(Fobs^2)1 / 1 / 1 / 2343912 / 685.53 / 685.53 / 4 / 8 / 8 / 126492.9 / 120852.5 / 1365.57
0 / 2 / 2 / 594626.8 / 836678.6 / 8616.04 / 6 / 8 / 8 / 91715.82 / 78669.28 / 1004.29
2 / 2 / 2 / 4968.49 / 1292.39 / 161.55 / 8 / 8 / 8 / 181255.5 / 203356.7 / 3464.34
1 / 1 / 3 / 261651.5 / 190719.6 / 1816.38 / 1 / 1 / 9 / 865.6 / 1601.82 / 160.18
1 / 3 / 3 / 612994.3 / 679351.3 / 4557.61 / 1 / 3 / 9 / 155770.9 / 125429 / 928.06
3 / 3 / 3 / 10937.89 / 3082.43 / 324.47 / 3 / 3 / 9 / 428.6 / 160.13 / 160.13
0 / 0 / 4 / 37003.16 / 55705.2 / 1354.53 / 1 / 5 / 9 / 264.58 / 0 / 226.43
2 / 2 / 4 / 8529.13 / 3722.85 / 161.86 / 3 / 5 / 9 / 1117.84 / -143.28 / 143.28
0 / 4 / 4 / 449969.3 / 495797.2 / 5235.69 / 5 / 5 / 9 / 35524.36 / 33798.11 / 653.1
2 / 4 / 4 / 10442.92 / 5179.67 / 323.73 / 1 / 7 / 9 / 62281.64 / 67831.95 / 585.62
4 / 4 / 4 / 1509.27 / 4809.24 / 480.92 / 3 / 7 / 9 / 12892.57 / 11777.64 / 322.43
1 / 1 / 5 / 66430.9 / 54927.08 / 690.91 / 5 / 7 / 9 / 14570.5 / 13633.96 / 342.16
1 / 3 / 5 / 14758.51 / 12646.32 / 731.83 / 7 / 7 / 9 / 99972.76 / 100118.1 / 1173.91
3 / 3 / 5 / 852944.3 / 1288514 / 8113.74 / 1 / 9 / 9 / 95444.27 / 124260.8 / 1341.55
1 / 5 / 5 / 7693.27 / 7414.74 / 322.38 / 3 / 9 / 9 / 92151.74 / 82632.37 / 1003.63
3 / 5 / 5 / 237.56 / 480.35 / 320.23 / 5 / 9 / 9 / 166176.4 / 176619.1 / 1723.11
5 / 5 / 5 / 2969892 / 6096453 / 53320.66 / 7 / 9 / 9 / 7949.58 / 4337.71 / 321.31
0 / 2 / 6 / 39789.83 / 41396.39 / 1248.25 / 9 / 9 / 9 / 88684.12 / 109197.4 / 2157.4
2 / 2 / 6 / 47962.65 / 55397.37 / 669.45 / 0 / 2 / 10 / 4248.75 / 5088.06 / 401.29
2 / 4 / 6 / 372470.3 / 470139.4 / 4716.72 / 2 / 2 / 10 / 86837.63 / 73980.64 / 842.6
4 / 4 / 6 / 2.64 / -320.17 / 320.17 / 2 / 4 / 10 / 711.6 / 2094.28 / 226.49
0 / 6 / 6 / 391428.5 / 332588.4 / 3841.45 / 4 / 4 / 10 / 42426.6 / 39330 / 655.5
2 / 6 / 6 / 1998.69 / 320.64 / 160.32 / 0 / 6 / 10 / 7152.41 / 4393.01 / 482.16
4 / 6 / 6 / 702275.8 / 912958.3 / 6062.44 / 2 / 6 / 10 / 13877.47 / 15314.21 / 268.42
6 / 6 / 6 / 822045.6 / 1060651 / 12981.99 / 4 / 6 / 10 / 1085.77 / 1121.23 / 226.52
1 / 1 / 7 / 5105.46 / 1447.37 / 160.82 / 6 / 6 / 10 / 3882.83 / 5292.95 / 320.78
1 / 3 / 7 / 7257.75 / 1946.08 / 227.77 / 2 / 8 / 10 / 207935 / 227766.1 / 1369.09
3 / 3 / 7 / 150054.3 / 142400.7 / 1424.01 / 4 / 8 / 10 / 189.66 / -226.41 / 226.41
1 / 5 / 7 / 28456.36 / 28275.55 / 346.71 / 6 / 8 / 10 / 2996.17 / 5691.97 / 226.71
3 / 5 / 7 / 45635.07 / 30063.78 / 350.4 / 8 / 8 / 10 / 27043.47 / 27045.94 / 647.81
5 / 5 / 7 / 70543.1 / 26427.62 / 501.79 / 0 / 10 / 10 / 896118.1 / 1215551 / 10822.21
1 / 7 / 7 / 2894.84 / 10104.24 / 320.77 / 2 / 10 / 10 / 2459.61 / 5128.45 / 320.53
3 / 7 / 7 / 23030.35 / 25979.91 / 487.12 / 4 / 10 / 10 / 33583.42 / 37853.26 / 649.84
5 / 7 / 7 / 88291.24 / 78354.8 / 1008.86 / 6 / 10 / 10 / 33122.94 / 41069.93 / 649.33
7 / 7 / 7 / 28224.25 / 42571.78 / 1137.41 / 8 / 10 / 10 / 96221.63 / 91078.98 / 1163.42
0 / 0 / 8 / 1947.93 / 4329.04 / 641.34 / 10 / 10 / 10 / 9621.31 / 5462.77 / 803.35
2 / 2 / 8 / 160672 / 178211.6 / 1607.12 / 1 / 1 / 11 / 243466.9 / 227710.9 / 1995.87
0 / 4 / 8 / 339889.3 / 386221.3 / 3169.65 / 1 / 3 / 11 / 57654.76 / 65187.16 / 584.19
2 / 4 / 8 / 12995.99 / 17335.14 / 268.82 / 3 / 3 / 11 / 378097.7 / 507945.8 / 3620.02
4 / 4 / 8 / 144999.9 / 134019 / 1397.85 / 1 / 5 / 11 / 11834.17 / 8215.41 / 483.29
2 / 6 / 8 / 34684.78 / 30342.28 / 346.98 / 3 / 5 / 11 / 5221.98 / 3564.7 / 143.57
4 / 6 / 8 / 13031.21 / 18407.17 / 268.48 / 5 / 5 / 11 / 22.57 / 3201.71 / 320.17
6 / 6 / 8 / 7146.74 / 7393.09 / 321.44 / 1 / 7 / 11 / 16993.19 / 15836.8 / 387.44
0 / 8 / 8 / 713233.9 / 1098179 / 10144.34 / 3 / 7 / 11 / 89860.66 / 97992.07 / 2754.63
2 / 8 / 8 / 9708.12 / 9013.72 / 321.92 / 5 / 7 / 11 / 55899.12 / 55850.7 / 985.29
h / k / l / Fcal^2 / Fobs^2 / (Fobs^2) / H / k / l / Fcal^2 / Fobs^2 / (Fobs^2)
7 / 7 / 11 / 17829.78 / 15166.11 / 484.02 / 3 / 9 / 13 / 36771.16 / 39158.11 / 459.54
1 / 9 / 11 / 3239.88 / 2487.57 / 226.73 / 5 / 9 / 13 / 77100.32 / 73640.74 / 742.1
3 / 9 / 11 / 379895.3 / 409418.8 / 2503.72 / 7 / 9 / 13 / 10905.08 / 11433.55 / 482.25
5 / 9 / 11 / 71.7 / 880.49 / 226.4 / 9 / 9 / 13 / 143464.7 / 150068 / 1682.38
7 / 9 / 11 / 73300.39 / 81094.68 / 751.1 / 1 / 11 / 13 / 41854.58 / 39461.59 / 508.05
9 / 9 / 11 / 40140.68 / 32028.61 / 650.33 / 3 / 11 / 13 / 31956.65 / 35162.44 / 458.28
1 / 11 / 11 / 691589.5 / 756959.9 / 5437.06 / 5 / 11 / 13 / 8008.82 / 7473.06 / 802.8
3 / 11 / 11 / 936.76 / 1921.75 / 320.29 / 7 / 11 / 13 / 4671.02 / 5151.33 / 340.16
5 / 11 / 11 / 455344.1 / 494069.7 / 3930.1 / 9 / 11 / 13 / 59640.39 / 60950.16 / 1143.44
7 / 11 / 11 / 7.62 / 2081.1 / 480.25 / 11 / 11 / 13 / 38144.19 / 50732.12 / 972.5
9 / 11 / 11 / 34012.61 / 33225.68 / 648.31 / 1 / 13 / 13 / 3071.11 / 9936.17 / 480.78
11 / 11 / 11 / 1731346 / 2473365 / 25214.15 / 3 / 13 / 13 / 117080 / 110639.7 / 1333.01
0 / 0 / 12 / 430727.4 / 435202.9 / 6591.05 / 5 / 13 / 13 / 10609.87 / 14300.09 / 482.03
2 / 2 / 12 / 2302.86 / 5930.29 / 320.56 / 7 / 13 / 13 / 1770.92 / 2562.88 / 480.54
0 / 4 / 12 / 1849.31 / 3872.37 / 339.91 / 9 / 13 / 13 / 16624.51 / 20440.74 / 643.8
2 / 4 / 12 / 89319.8 / 92878.62 / 827.57 / 11 / 13 / 13 / 68.51 / 1280.7 / 480.26
4 / 4 / 12 / 27110.78 / 29520.79 / 486.61 / 13 / 13 / 13 / 83374.23 / 86939.16 / 2132.47
2 / 6 / 12 / 17880 / 14164.63 / 726.54 / 0 / 2 / 14 / 137701.4 / 145248.7 / 1562.38
4 / 6 / 12 / 457.73 / 640.47 / 226.44 / 2 / 2 / 14 / 348.22 / 640.44 / 320.22
6 / 6 / 12 / 10147.04 / 11095.58 / 482.42 / 2 / 4 / 14 / 16678.63 / 15885.35 / 342.1
0 / 8 / 12 / 65797.68 / 63145.49 / 1730.3 / 4 / 4 / 14 / 24696.01 / 17473.37 / 485.37
2 / 8 / 12 / 1741.24 / 2829.89 / 266.6 / 0 / 6 / 14 / 226 / 160.1 / 452.83
4 / 8 / 12 / 73204.45 / 66354.13 / 634.29 / 2 / 6 / 14 / 128881.5 / 127367 / 1855.28
6 / 8 / 12 / 17806.28 / 17585.13 / 342.12 / 4 / 6 / 14 / 53181.39 / 49652.38 / 578.4
8 / 8 / 12 / 313251.6 / 331120.8 / 2863.75 / 6 / 6 / 14 / 369.18 / 960.65 / 320.22
2 / 10 / 12 / 2129.77 / 2326.04 / 226.59 / 2 / 8 / 14 / 28700.83 / 25586.45 / 458.02
4 / 10 / 12 / 3969.01 / 3449.23 / 226.76 / 4 / 8 / 14 / 302.6 / 40.03 / 151.89
6 / 10 / 12 / 228700.9 / 240691.4 / 1598.58 / 6 / 8 / 14 / 302647.8 / 345638.3 / 3198.58
8 / 10 / 12 / 90.24 / 480.27 / 339.6 / 8 / 8 / 14 / 474.58 / 2401.68 / 480.34
10 / 10 / 12 / 190991.9 / 183809.5 / 1877.35 / 0 / 10 / 14 / 84885.05 / 89676.8 / 1387.34
0 / 12 / 12 / 1092608 / 1455430 / 11972.58 / 2 / 10 / 14 / 3435.25 / 2349.13 / 340.03
2 / 12 / 12 / 426.34 / 160.11 / 320.22 / 4 / 10 / 14 / 256.1 / 128.08 / 266.42
4 / 12 / 12 / 2573.35 / 1762.64 / 480.72 / 6 / 10 / 14 / 105.6 / 0 / 266.41
6 / 12 / 12 / 59013.24 / 65408.3 / 981.12 / 8 / 10 / 14 / 115312.3 / 127254 / 1747.43
8 / 12 / 12 / 47792.15 / 45737.91 / 813.84 / 10 / 10 / 14 / 22703.75 / 14355.46 / 483.89
10 / 12 / 12 / 32121.28 / 34142.77 / 809.07 / 2 / 12 / 14 / 112360.4 / 111579.9 / 1247.94
12 / 12 / 12 / 509486 / 499429.9 / 7748.82 / 4 / 12 / 14 / 480.38 / 1233.19 / 320.22
1 / 1 / 13 / 321.26 / 1120.77 / 320.22 / 6 / 12 / 14 / 336.77 / -32.02 / 266.43
1 / 3 / 13 / 16137.26 / 11822.17 / 1210.03 / 8 / 12 / 14 / 20040.58 / 17534.62 / 805.73
3 / 3 / 13 / 54996.8 / 55345.97 / 821.16 / 10 / 12 / 14 / 34784.79 / 31966.16 / 572.24
1 / 5 / 13 / 67466.96 / 76256.68 / 751.93 / 12 / 12 / 14 / 995.8 / 480.4 / 480.4
3 / 5 / 13 / 186.41 / 726.6 / 160.1 / 0 / 14 / 14 / 37440.38 / 35821.76 / 1134.63
5 / 5 / 13 / 8794.26 / 6588.92 / 321.41 / 2 / 14 / 14 / 4336.02 / 3206.33 / 480.95
1 / 7 / 13 / 27003.41 / 24494.97 / 647.94 / 4 / 14 / 14 / 19887.35 / 19819.35 / 644.53
3 / 7 / 13 / 66875.59 / 62330.05 / 698.65 / 6 / 14 / 14 / 428186.8 / 435255.2 / 3437.18
5 / 7 / 13 / 59740.02 / 58337.61 / 902.33 / 8 / 14 / 14 / 12648.19 / 14464.71 / 642.88
7 / 7 / 13 / 15394.85 / 20134.14 / 483.22 / 10 / 14 / 14 / 710.71 / 1120.83 / 480.36
1 / 9 / 13 / 84642.08 / 73886.18 / 754.43 / 12 / 14 / 14 / 90835.31 / 83783.77 / 1314.26
h / k / l / Fcal^2 / Fobs^2 / (Fobs^2) / h / k / l / Fcal^2 / Fobs^2 / (Fobs^2)
14 / 14 / 14 / 46.21 / 0 / 960.52 / 6 / 8 / 16 / 7502.66 / 7698.36 / 267.1
1 / 1 / 15 / 4878.75 / 2566.77 / 320.85 / 8 / 8 / 16 / 363635.9 / 360241 / 3218.03
1 / 3 / 15 / 9737.53 / 9484.21 / 227.33 / 2 / 10 / 16 / 29018.63 / 27402.32 / 505.07
3 / 3 / 15 / 19127.83 / 24205.18 / 484.1 / 4 / 10 / 16 / 5011.31 / 3489.83 / 384.86
1 / 5 / 15 / 6864.46 / 7595.44 / 267.15 / 6 / 10 / 16 / 48266.24 / 47825.64 / 575.11
3 / 5 / 15 / 114141.1 / 112080 / 1422.75 / 8 / 10 / 16 / 5304.88 / 3848.66 / 340.18
5 / 5 / 15 / 152452.7 / 162209.7 / 1694.98 / 10 / 10 / 16 / 16302.09 / 16251.11 / 643.61
1 / 7 / 15 / 17448.56 / 19902.01 / 386.85 / 0 / 12 / 16 / 45101.04 / 44529.48 / 897.75
3 / 7 / 15 / 39895.12 / 43243.33 / 574.76 / 2 / 12 / 16 / 7004.45 / 9103.66 / 385.09
5 / 7 / 15 / 500.23 / 1441.03 / 226.44 / 4 / 12 / 16 / 20950.53 / 23791.87 / 503.44
7 / 7 / 15 / 2374.19 / 2243.13 / 480.67 / 6 / 12 / 16 / 5331.96 / 4287.29 / 400.89
1 / 9 / 15 / 16949.79 / 18834.8 / 483.31 / 8 / 12 / 16 / 4698.61 / 9942.32 / 340.09
3 / 9 / 15 / 1103.81 / 1509.98 / 266.51 / 10 / 12 / 16 / 275.27 / -80.05 / 400.24
5 / 9 / 15 / 107540.1 / 105068.6 / 875.72 / 12 / 12 / 16 / 38781.23 / 39660.06 / 809.39
7 / 9 / 15 / 42151.3 / 39394.33 / 574.33 / 2 / 14 / 16 / 74734.04 / 79749.88 / 982.81
9 / 9 / 15 / 6.78 / 320.17 / 480.25 / 4 / 14 / 16 / 48.5 / -96.05 / 266.4
1 / 11 / 15 / 3558.19 / 3561.53 / 480.86 / 6 / 14 / 16 / 1001.6 / 2094.04 / 339.69
3 / 11 / 15 / 96983.98 / 88812.14 / 871.68 / 8 / 14 / 16 / 9633.95 / 8085.62 / 385.3
5 / 11 / 15 / 20593.31 / 18643.6 / 386.92 / 10 / 14 / 16 / 7976.43 / 7166.08 / 722.03
7 / 11 / 15 / 73662.29 / 65040.65 / 1065.95 / 12 / 14 / 16 / 586.14 / 434.58 / 384.26
9 / 11 / 15 / 10830.73 / 10584.46 / 401.61 / 14 / 14 / 16 / 79442.95 / 71110.95 / 1307.79
11 / 11 / 15 / 14.68 / 1921.01 / 480.25 / 0 / 16 / 16 / 32863.74 / 34269.05 / 969.88
1 / 13 / 15 / 1228.72 / 4374.3 / 384.36 / 2 / 16 / 16 / 6467.27 / 6094.88 / 481.17
3 / 13 / 15 / 8107.48 / 8510.31 / 340.5 / 4 / 16 / 16 / 90045.72 / 93142.93 / 1149.91
5 / 13 / 15 / 94593.77 / 91469.9 / 816.49 / 6 / 16 / 16 / 29835.08 / 33261.03 / 807.31
7 / 13 / 15 / 2994.99 / 3845.67 / 339.91 / 8 / 16 / 16 / 346.36 / 2401.49 / 480.3
9 / 13 / 15 / 3371.9 / 3120.66 / 480.75 / 10 / 16 / 16 / 23912.13 / 26265.33 / 805.69
11 / 13 / 15 / 1270.78 / 2131.15 / 339.72 / 12 / 16 / 16 / 18706.28 / 19949.64 / 643.54
13 / 13 / 15 / 3014.89 / 3845.33 / 480.67 / 14 / 16 / 16 / 902.97 / 800.61 / 640.49
1 / 15 / 15 / 2388.88 / 2403.07 / 480.61 / 16 / 16 / 16 / 295177.9 / 296742.8 / 3945.14
3 / 15 / 15 / 34729.8 / 31877.94 / 647.27 / 1 / 1 / 17 / 217979 / 216487.2 / 2076.62
5 / 15 / 15 / 48083.84 / 46783.34 / 812.21 / 1 / 3 / 17 / 1608.53 / 2732.52 / 226.53
7 / 15 / 15 / 18192.49 / 13842.62 / 643.84 / 3 / 3 / 17 / 6.8 / 160.08 / 320.17
9 / 15 / 15 / 22175.66 / 24812.95 / 805.62 / 1 / 5 / 17 / 20155.57 / 13870.21 / 387.08
11 / 15 / 15 / 7405.88 / 6898.09 / 641.68 / 3 / 5 / 17 / 308.88 / 693.78 / 286.4
13 / 15 / 15 / 5410.4 / 6573.18 / 641.29 / 5 / 5 / 17 / 616843.9 / 705266.9 / 4809.51
15 / 15 / 15 / 414.87 / 1601.01 / 960.61 / 1 / 7 / 17 / 4638.82 / 4219.65 / 384.84
0 / 0 / 16 / 799211.2 / 915640.9 / 13598.63 / 3 / 7 / 17 / 1682.51 / 1753.87 / 480.54
2 / 2 / 16 / 5399.58 / 7540.37 / 320.87 / 5 / 7 / 17 / 227003.1 / 231749.1 / 1722.95
0 / 4 / 16 / 46554.51 / 49703.46 / 858.86 / 7 / 7 / 17 / 7198.32 / 4653.74 / 320.95
2 / 4 / 16 / 4.05 / 560.29 / 240.13 / 1 / 9 / 17 / 10988.02 / 11197.27 / 562.42
4 / 4 / 16 / 24263.92 / 31994.03 / 646.34 / 3 / 9 / 17 / 282352.2 / 284770.8 / 1889.71
2 / 6 / 16 / 11694.33 / 15115.23 / 385.92 / 5 / 9 / 17 / 297.89 / 4115.24 / 384.24
4 / 6 / 16 / 20.4 / 240.13 / 240.13 / 7 / 9 / 17 / 54146 / 56045.18 / 625.68
6 / 6 / 16 / 1279543 / 1616734 / 9354.29 / 9 / 9 / 17 / 91257.41 / 85115.96 / 1152.44
0 / 8 / 16 / 19486.06 / 13735.75 / 619.31 / 1 / 11 / 17 / 39665.93 / 35876.8 / 972.98
2 / 8 / 16 / 90848.61 / 93172.68 / 935.33 / 3 / 11 / 17 / 631.39 / 1883.33 / 384.28
4 / 8 / 16 / 97180.95 / 99759.99 / 1904.55 / 5 / 11 / 17 / 219289.1 / 209955.1 / 1880.84
h / k / l / Fcal^2 / Fobs^2 / (Fobs^2) / h / k / l / Fcal^2 / Fobs^2 / (Fobs^2)
7 / 11 / 17 / 44322 / 47190.5 / 649.17 / 8 / 12 / 18 / 346.93 / 160.1 / 339.62
9 / 11 / 17 / 6579.65 / 5084.55 / 401.01 / 10 / 12 / 18 / 360.1 / 480.3 / 339.62
11 / 11 / 17 / 4676.4 / 7213.66 / 641.21 / 12 / 12 / 18 / 113.04 / 640.36 / 640.36
1 / 13 / 17 / 28448.79 / 24002.47 / 726.77 / 0 / 14 / 18 / 71465.01 / 74174.41 / 1138.46
3 / 13 / 17 / 11111.48 / 12866.58 / 413.23 / 2 / 14 / 18 / 7606.12 / 9305.7 / 453.8
5 / 13 / 17 / 8303.64 / 9566.04 / 401.23 / 4 / 14 / 18 / 115677.4 / 119160.9 / 1033.32
7 / 13 / 17 / 1798.02 / 1121.19 / 339.77 / 6 / 14 / 18 / 1375.75 / 434.69 / 384.35
9 / 13 / 17 / 35664.05 / 39467.46 / 571.84 / 8 / 14 / 18 / 55749.98 / 62105.41 / 804.72
11 / 13 / 17 / 4126.85 / 5288.93 / 453.31 / 10 / 14 / 18 / 1080.91 / 2401.97 / 384.32
13 / 13 / 17 / 47577.76 / 50429 / 972.91 / 12 / 14 / 18 / 3586.03 / 4442.93 / 453.22