Inorganic Solid Phases

H₉₂La₃₈Al₉₂Si₁₀₀O₄₃₂(OH)₁₈·18H₂O (La_7.5Al_22.5Si_25.5O₉₆[H₂O]₈) Crystal Structure

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General Information

Phase Label(s): La_7.5Al_22.5Si_25.5O₉₆[H₂O]₈
Structure Class(es): zeolite FAU
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: cF640
Space Group: 227
Phase Prototype: La_7.5(Al_0.47Si_0.53)₄₈O₉₆[H₂O]₈
Measurement Detail(s): automatic diffractometer; 35 (determination of cell parameters), automatic diffractometer; Siemens P3 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 294 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): silicate, hydrate
Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 47 variables; 471 reflections; F > 4σ(F), R = 0.076; wR = 0.234
Sample Detail(s): zeolite group sample from synthetic, sample prepared from Na₉₂Si₁₀₀Al₉₂O₃₈₄, La(C₂H₃O₂)₃, electron microprobe analysis; Na and La content analyzed, single crystal (determination of cell parameters), single crystal, 0.13 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: H₂₃La_9.5Al₂₃Si₂₅O₁₀₈[OH]_4.5[H₂O]_4.5
Alphabetic Formula: Al₂₃H₂₃[H₂O]_4.5La_9.5O₁₀₈[OH]_4.5Si₂₅
Published Formula: H₉₂La₃₈Al₉₂Si₁₀₀O₄₃₂(OH)₁₈·18H₂O
Refined Formula: Al_22.94H_13.50La_9.50O₁₁₇Si_25.06
Wyckoff Sequence: 227,ihg⁴e²dc
Z Formula Units: 4
Density: ρ = 1.93 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_1612769

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 H92La38Al92Si100O432(OH)18·18H2O (La7.5Al22.5Si25.5O96[H2O]8) Crystal Structure sd_1612769 (Springer-Verlag GmbH, Heidelberg, © 2016)

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