Inorganic Solid Phases

ZSM-5, Si/Al= 11.9 (H_0.2Na_6.7Al_6.9Si_89.1O₁₉₂) Crystal Structure

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General Information

Phase Label(s): H_0.2Na_6.7Al_6.9Si_89.1O₁₉₂
Structure Class(es): zeolite MFI
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: oP316
Space Group: 62
Phase Prototype: H_0.2Na_6.7(Al_0.07Si_0.93)₉₆O₁₉₂
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): silicate
Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 2217 reflections; I > 2σ(I), R = 0.0965
Sample Detail(s): sample prepared from SiO₂, NaAlO₂, NaOH, TPABr, energy-dispersive X-ray analysis; Si/Al ratio 11.9/1, single crystal (determination of cell parameters), single crystal, 0.12×0.13×0.26 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: Na_7.4Al_7.4Si_88.6O₁₉₂[H₂O]₈
Alphabetic Formula: Al_7.4[H₂O]₈Na_7.4O₁₉₂Si_88.6
Published Formula: ZSM-5, Si/Al= 11.9
Refined Formula: Al_7.49H₁₆O₂₀₀Si_88.51
Wyckoff Sequence: 62,d³⁴c⁶
Z Formula Units: 1
Density: ρ = 1.88 Mg·m⁻³

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Crystallographic Data

Cell Parameters

	Published Data	Standardized Data
	Published Data	Unit Cell	Niggli-Reduced Cell
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a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site	Element	Wyckoff Symbol	Symmetry	X	Y	Z	Occupation	Co-ord. No.	Atomic Env.
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Published

Site	Element	Wyckoff Symbol	Symmetry	X	Y	Z	Occupation
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Displacement Parameters

Isotropic

Site	Published U [nm²]	Type	Computed B_eq [nm²]
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Anisotropic

Site	U₁₁ [nm²]	U₂₂ [nm²]	U₃₃ [nm²]	U₁₂ [nm²]	U₁₃ [nm²]	U₂₃ [nm²]
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Experimental Details

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Reference

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3D Interactive Structure

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About this content

Database name

PAULING FILE Multinaries Edition – 2012

Dataset ID

sd_1613536

Copyright

©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

Chief Editor

Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

villars.mpds@bluewin.ch

Credits

SpringerMaterials Release 2016.

Project Coordinator: Shuichi Iwata

Section-Editor: Karin Cenzual (Crystal Structures)

Cite this content

Pierre Villars (Chief Editor), PAULING FILE in: Inorganic Solid Phases, SpringerMaterials (online database), Springer, Heidelberg (ed.) SpringerMaterials ZSM-5, Si/Al= 11.9 (H0.2Na6.7Al6.9Si89.1O192) Crystal Structure sd_1613536 (Springer-Verlag GmbH, Heidelberg, © 2016)

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