Inorganic Solid Phases

Cs₃Na₈H-A(5Ar) (HCs₃Na₈Al₁₂Ar₆Si₁₂O₄₈) Crystal Structure

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General Information

Phase Label(s): HCs₃Na₈Al₁₂Ar₆Si₁₂O₄₈
Structure Class(es): zeolite LTA
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: cP115
Space Group: 221
Phase Prototype: HCs₃Na₈(Al_0.5Si_0.5)₂₄O₄₈Ar₆
Measurement Detail(s): automatic diffractometer; 15 (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays (determination of cell and structural parameters), T = 294(1) K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): silicate
Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 32 variables; 274 reflections; I > 3σ(I), R = 0.055; wR = 0.056
Sample Detail(s): sample prepared from Na₁₂Si₁₂Al₁₂O₄₈[H₂O]₂₇, single crystal (determination of cell parameters), single crystal, 0.08 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: HCs₃Na₈Al₁₂Ar₅Si₁₂O₄₈
Alphabetic Formula: Al₁₂Ar₅Cs₃HNa₈O₄₈Si₁₂
Published Formula: Cs₃Na₈H-A(5Ar)
Refined Formula: Al₁₂Ar₅Cs₃Na₈O₄₈Si₁₂
Wyckoff Sequence: 221,mkjihg³c
Z Formula Units: 1
Density: ρ = 2.00 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 B [nm²]	Type	Computed B_eq [nm²]
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Anisotropic

Site	β₁₁ [nm²]	β₂₂ [nm²]	β₃₃ [nm²]	β₁₂ [nm²]	β₁₃ [nm²]	β₂₃ [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_1001554

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 Cs3Na8H-A(5Ar) (HCs3Na8Al12Ar6Si12O48) Crystal Structure sd_1001554 (Springer-Verlag GmbH, Heidelberg, © 2016)

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