A systematic topological search for the framework of ZSM-10

The application of a new technique for zeolite framework structure solution is described that exhaustively enumerates every possible topology consistent with known unit-cell dimensions and space-group symmetry. It is shown that computer-generated on-line databases of hypothetical crystal structures can radically augment structure building in the pre-refinement stage.

Computing details

Figures

(191_6_558937s_gulpmin.cif)

Crystal data

?	β = 90°
Mr = ?	γ = 120°
?, P6/mmm	V = ? Å^3
a = 30.960745 Å	Z = ?
b = 30.960745 Å	? radiation, λ = ? Å
c = 7.519782 Å	× × mm
α = 90°

Data collection

h = ?→?	l = ?→?
k = ?→?

Refinement

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Biso*/Beq
Si1	0.288767	0.094991	0.297243
Si2	0.387990	0.095521	0.296462
Si3	0.487202	0.194051	0.296484
Si4	0.209669	0.055424	0.000000
Si5	0.426576	0.055380	0.000000
Si6	0.526390	0.154344	0.000000
O_11_1	0.272829	0.077753	0.500000
O_11_2	0.305753	0.152877	0.271933
O_12_1	0.334998	0.088514	0.239751
O_14_1	0.241923	0.060960	0.174245
O_22_1	0.387385	0.079343	0.500000
O_23_1	0.429371	0.153218	0.266997
O_25_1	0.399755	0.060526	0.174827
O_33_1	0.503345	0.194369	0.500000
O_33_2	0.494389	0.247194	0.240381
O_36_1	0.521919	0.181590	0.174854
O_44_1	0.161707	0.000000	0.000000
O_44_2	0.190608	0.095303	0.000000
O_55_1	0.419371	0.000000	0.000000
O_56_1	0.485034	0.095810	0.000000
O_66_1	0.580050	0.160100	0.000000