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ZSM-5 (silicalite framework) SiO₂ (MFI)

Zeolite framework · space group P₁₂₁/n₁ (No. 14) · Z = 1

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Unit cell

Lattice constants: a = 13.382 Å, b = 20.125 Å, c = 19.890 Å; α = 90°, β = 90.547°, γ = 90°
Cell volume: 5356.4 Å³
Atoms in the cell: 288 (Si 96, O 192)
Formula units Z: 1
Calculated density: 0.95 g cm⁻³
Shortest contact: 1.577 Å

Coordination

Si: CN 4 at 1.59 Å (4 O)
O: CN 2 at 1.59 Å (2 Si)

About the structure

The MFI framework: 10-ring channels about 5.5 Å across, straight along one axis and zig-zag along another, crossing to form a 3D channel system.
Only the SiO₂ framework is shown (96 Si and 192 O per cell); in ZSM-5 a few Si are replaced by Al, and the charge-balancing H⁺ makes it a strong solid acid for petrochemistry.
This is the monoclinic (P2₁/n) form of the pure silica framework.
Coordinates from the Crystallography Open Database, entry 1505106 (open data); hydrogen and water sites with partial occupancy below 0.5 are left out.

Atom positions (fractional, one cell)

Atom	x	y	z
Si	0.6778	0.5791	0.0558
Si	0.8222	0.0791	0.4442
Si	0.3222	0.4209	0.9442
Si	0.1778	0.9209	0.5558
Si	0.8330	0.6870	0.0305
Si	0.6670	0.1870	0.4695
Si	0.1670	0.3130	0.9695
Si	0.3330	0.8130	0.5305
Si	0.0504	0.7205	0.0624
Si	0.4496	0.2205	0.4376
Si	0.9496	0.2795	0.9376
Si	0.5504	0.7795	0.5624
Si	0.0356	0.8763	0.0626
Si	0.4644	0.3763	0.4374
Si	0.9644	0.1237	0.9374
Si	0.5356	0.6237	0.5626
Si	0.8226	0.9239	0.0280
Si	0.6774	0.4239	0.4720
Si	0.1774	0.0761	0.9720
Si	0.3226	0.5761	0.5280
Si	0.6845	0.8055	0.0560
Si	0.8155	0.3055	0.4440
Si	0.3155	0.1945	0.9440
Si	0.1845	0.6945	0.5560
Si	0.6805	0.5749	0.8285
Si	0.8195	0.0749	0.6715
Si	0.3195	0.4251	0.1715
Si	0.1805	0.9251	0.3285
Si	0.8254	0.6880	0.8730
Si	0.6746	0.1880	0.6270
Si	0.1746	0.3120	0.1270
Si	0.3254	0.8120	0.3730
Si	0.0357	0.7268	0.8243
Si	0.4643	0.2268	0.6757
Si	0.9643	0.2732	0.1757
Si	0.5357	0.7732	0.3243
Si	0.0339	0.8810	0.8240
Si	0.4661	0.3810	0.6760
Si	0.9661	0.1190	0.1759
Si	0.5339	0.6190	0.3241
Si	0.8236	0.9286	0.8705
Si	0.6764	0.4286	0.6295
Si	0.1764	0.0714	0.1295
Si	0.3236	0.5714	0.3705
Si	0.6855	0.8094	0.8340
Si	0.8145	0.3094	0.6660
Si	0.3145	0.1906	0.1660
Si	0.1855	0.6906	0.3340
Si	0.8347	0.0725	0.0571
Si	0.6653	0.5725	0.4429
Si	0.1653	0.9275	0.9428
Si	0.3347	0.4275	0.5572
Si	0.6876	0.1880	0.0274
Si	0.8124	0.6880	0.4726
Si	0.3124	0.8120	0.9726
Si	0.1876	0.3120	0.5274
Si	0.5298	0.7775	0.9389
Si	0.9702	0.2775	0.5611
Si	0.4702	0.2225	0.0611
Si	0.0298	0.7225	0.4389
Si	0.5335	0.6217	0.9358
Si	0.9665	0.1217	0.5642
Si	0.4665	0.3783	0.0642
Si	0.0335	0.8783	0.4358
Si	0.3208	0.5713	0.9729
Si	0.1792	0.0713	0.5271
Si	0.6792	0.4287	0.0271
Si	0.8208	0.9287	0.4729
Si	0.1820	0.6875	0.9380
Si	0.3180	0.1875	0.5620
Si	0.8180	0.3125	0.0620
Si	0.6820	0.8125	0.4380
Si	0.8154	0.0760	0.8278
Si	0.6846	0.5760	0.6722
Si	0.1846	0.9240	0.1721
Si	0.3154	0.4240	0.3278
Si	0.6705	0.1878	0.8692
Si	0.8295	0.6878	0.6308
Si	0.3295	0.8122	0.1308
Si	0.1705	0.3121	0.3692
Si	0.5438	0.7732	0.1694
Si	0.9562	0.2732	0.3306
Si	0.4562	0.2268	0.8306
Si	0.0438	0.7268	0.6694
Si	0.5371	0.6188	0.1705
Si	0.9629	0.1188	0.3295
Si	0.4629	0.3812	0.8295
Si	0.0371	0.8812	0.6705
Si	0.3220	0.5723	0.1304
Si	0.1780	0.0723	0.3696
Si	0.6780	0.4277	0.8696
Si	0.8220	0.9277	0.6304
Si	0.6995	0.8065	0.6798
Si	0.8005	0.3065	0.8202
Si	0.3005	0.1935	0.3201
Si	0.1995	0.6935	0.1799
O	0.7780	0.6229	0.0580
O	0.7220	0.1229	0.4420
O	0.2220	0.3771	0.9420
O	0.2780	0.8771	0.5580
O	0.9402	0.6897	0.0652
O	0.5598	0.1897	0.4348
O	0.0598	0.3103	0.9348
O	0.4402	0.8103	0.5652
O	0.0439	0.7982	0.0493
O	0.4561	0.2982	0.4507
O	0.9561	0.2018	0.9507
O	0.5439	0.7018	0.5493
O	0.9210	0.8980	0.0667
O	0.5790	0.3980	0.4333
O	0.0790	0.1020	0.9333
O	0.4210	0.6020	0.5667
O	0.7289	0.8784	0.0462
O	0.7711	0.3784	0.4538
O	0.2711	0.1216	0.9538
O	0.2289	0.6216	0.5462
O	0.7721	0.7519	0.0477
O	0.7279	0.2519	0.4523
O	0.2279	0.2481	0.9523
O	0.2721	0.7481	0.5477
O	0.7719	0.6228	0.8465
O	0.7281	0.1228	0.6535
O	0.2281	0.3772	0.1535
O	0.2719	0.8772	0.3465
O	0.9286	0.6947	0.8344
O	0.5714	0.1947	0.6656
O	0.0714	0.3053	0.1656
O	0.4286	0.8053	0.3344
O	0.0315	0.8045	0.8444
O	0.4685	0.3045	0.6556
O	0.9685	0.1955	0.1556
O	0.5315	0.6955	0.3444
O	0.9239	0.9111	0.8314
O	0.5761	0.4111	0.6686
O	0.0761	0.0889	0.1686
O	0.4239	0.5889	0.3314
O	0.7350	0.8795	0.8480
O	0.7650	0.3795	0.6520
O	0.2650	0.1205	0.1520
O	0.2350	0.6205	0.3480
O	0.7592	0.7525	0.8600
O	0.7408	0.2525	0.6400
O	0.2408	0.2475	0.1400
O	0.2592	0.7475	0.3600
O	0.8450	0.6812	0.9512
O	0.6550	0.1812	0.5488
O	0.1550	0.3188	0.0488
O	0.3450	0.8188	0.4512
O	0.8431	0.9224	0.9489
O	0.6569	0.4224	0.5511
O	0.1569	0.0776	0.0511
O	0.3431	0.5776	0.4489
O	0.6211	0.5845	0.1256
O	0.8789	0.0845	0.3744
O	0.3789	0.4155	0.8744
O	0.1211	0.9155	0.6256
O	0.6080	0.6052	0.9963
O	0.8920	0.1052	0.5037
O	0.3920	0.3948	0.0037
O	0.1080	0.8948	0.4963
O	0.5817	0.5985	0.8664
O	0.9183	0.0985	0.6336
O	0.4183	0.4015	0.1336
O	0.0817	0.9015	0.3664
O	0.6385	0.8014	0.1302
O	0.8615	0.3014	0.3698
O	0.3615	0.1986	0.8698
O	0.1385	0.6986	0.6302
O	0.5979	0.7926	0.0028
O	0.9021	0.2926	0.4972
O	0.4021	0.2074	0.9972
O	0.0979	0.7074	0.5028
O	0.5822	0.8043	0.8726
O	0.9178	0.3043	0.6274
O	0.4178	0.1957	0.1274
O	0.0822	0.6957	0.3726
O	0.7956	0.9974	0.0512
O	0.7044	0.4974	0.4488
O	0.2044	0.0026	0.9488
O	0.2956	0.5026	0.5512
O	0.7891	0.0022	0.8525
O	0.7109	0.5022	0.6475
O	0.2109	0.9978	0.1475
O	0.2891	0.4978	0.3525
O	0.6573	0.5763	0.7498
O	0.8427	0.0763	0.7502
O	0.3427	0.4237	0.2502
O	0.1573	0.9237	0.2498
O	0.6636	0.8017	0.7553
O	0.8364	0.3017	0.7447
O	0.3364	0.1983	0.2447
O	0.1636	0.6983	0.2553
O	0.0669	0.7182	0.7473
O	0.4331	0.2182	0.7527
O	0.9331	0.2818	0.2527
O	0.5669	0.7818	0.2473
O	0.0681	0.8896	0.7481
O	0.4319	0.3896	0.7519
O	0.9319	0.1104	0.2519
O	0.5681	0.6104	0.2481
O	0.7415	0.1208	0.0516
O	0.7585	0.6208	0.4484
O	0.2585	0.8792	0.9484
O	0.2415	0.3792	0.5516
O	0.4249	0.8137	0.9467
O	0.0751	0.3137	0.5533
O	0.5751	0.1863	0.0533
O	0.9249	0.6863	0.4467
O	0.5110	0.6990	0.9334
O	0.9890	0.1990	0.5666
O	0.4890	0.3010	0.0666
O	0.0110	0.8010	0.4334
O	0.4316	0.5832	0.9460
O	0.0684	0.0832	0.5540
O	0.5684	0.4168	0.0540
O	0.9316	0.9168	0.4460
O	0.2446	0.6199	0.9361
O	0.2554	0.1199	0.5639
O	0.7554	0.3801	0.0639
O	0.7446	0.8801	0.4361
O	0.7450	0.2504	0.0593
O	0.7550	0.7504	0.4407
O	0.2550	0.7496	0.9407
O	0.2450	0.2496	0.5593
O	0.7203	0.1215	0.8414
O	0.7797	0.6215	0.6586
O	0.2797	0.8785	0.1586
O	0.2203	0.3785	0.3414
O	0.4454	0.8140	0.1462
O	0.0546	0.3140	0.3538
O	0.5546	0.1860	0.8538
O	0.9454	0.6860	0.6462
O	0.5260	0.6964	0.1520
O	0.9740	0.1964	0.3480
O	0.4740	0.3036	0.8480
O	0.0260	0.8036	0.6520
O	0.4324	0.5833	0.1567
O	0.0676	0.0833	0.3433
O	0.5676	0.4167	0.8433
O	0.9324	0.9167	0.6567
O	0.7476	0.8778	0.6665
O	0.7524	0.3778	0.8335
O	0.2524	0.1222	0.3335
O	0.2476	0.6222	0.1665
O	0.7820	0.7509	0.6684
O	0.7180	0.2509	0.8316
O	0.2180	0.2491	0.3316
O	0.2820	0.7491	0.1684
O	0.6895	0.1945	0.9478
O	0.8105	0.6945	0.5522
O	0.3105	0.8055	0.0522
O	0.1895	0.3055	0.4478
O	0.3186	0.5849	0.0513
O	0.1814	0.0849	0.4487
O	0.6814	0.4151	0.9487
O	0.8186	0.9151	0.5513
O	0.1110	0.9183	0.8717
O	0.3890	0.4183	0.6283
O	0.8890	0.0817	0.1283
O	0.6110	0.5817	0.3717
O	0.0868	0.9139	0.0013
O	0.4132	0.4139	0.4987
O	0.9132	0.0861	0.9987
O	0.5868	0.5861	0.5013
O	0.0890	0.8956	0.1320
O	0.4110	0.3956	0.3680
O	0.9110	0.1044	0.8680
O	0.5890	0.6044	0.6320
O	0.1159	0.6906	0.8710
O	0.3841	0.1906	0.6290
O	0.8841	0.3094	0.1290
O	0.6159	0.8094	0.3710
O	0.1111	0.6871	0.0023
O	0.3889	0.1871	0.4977
O	0.8889	0.3129	0.9977
O	0.6111	0.8129	0.5023
O	0.1050	0.7053	0.1319
O	0.3950	0.2053	0.3681
O	0.8950	0.2947	0.8681
O	0.6050	0.7947	0.6319
O	0.7099	0.5038	0.0439
O	0.7901	0.0038	0.4561
O	0.2901	0.4962	0.9561
O	0.2099	0.9962	0.5439
O	0.7110	0.5020	0.8519
O	0.7890	0.0020	0.6481
O	0.2890	0.4980	0.1481
O	0.2110	0.9980	0.3519

Z, coordination numbers, distances, density and packing on this page are computed from these coordinates.

Other frameworks & porous solids

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Open ZSM-5 (silicalite framework) in the 3D viewer → · All structures