Inorganic Solid Phases

Na_1.85K_1.85Ca_2.15[Al₈Si₁₆O₄₈]·13.53H₂O (K_0.51Na_0.72Ca_1.37Al_3.96Si_8.04O₂₄[H₂O]_6.7) Crystal Structure

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General Information

Phase Label(s): K_0.51Na_0.72Ca_1.37Al_3.96Si_8.04O₂₄[H₂O]_6.7
Structure Class(es): zeolite LAU
Classification by Properties: –
Mineral Name(s): laumontite
Pearson Symbol: mS104
Space Group: 12
Phase Prototype: K_0.5Na_0.7Ca_1.4Al₄Si₈O₂₄[H₂O]₆
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, hydrate
Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 137 variables; 1009 reflections; I > 2σ(I), R = 0.0279; wR = 0.0729
Sample Detail(s): laumontite sample from Ukraine, Crimea, Ukrainka (Kurtsy), electron microprobe analysis; Na_1.24K_1.59Ca_2.55Fe³⁺_0.03[Al_8.17Si_15.87O₄₈][H₂O]_13.93, single crystal (determination of cell parameters), single crystal, 0.125×0.125×0.3 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: K_0.925Na_0.925Ca_1.075Al₄Si₈O₂₄[H₂O]_6.765
Alphabetic Formula: Al₄Ca_1.075[H₂O]_6.765K_0.925Na_0.925O₂₄Si₈
Published Formula: Na_1.85K_1.85Ca_2.15[Al₈Si₁₆O₄₈]·13.53H₂O
Refined Formula: Al₄Ca_1.08H_13.48K_0.92Na_0.92O_30.74Si₈
Wyckoff Sequence: 12,j¹¹i⁶hg
Z Formula Units: 2
Density: ρ = 2.31 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	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_1624174

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 Na1.85K1.85Ca2.15[Al8Si16O48]·13.53H2O (K0.51Na0.72Ca1.37Al3.96Si8.04O24[H2O]6.7) Crystal Structure sd_1624174 (Springer-Verlag GmbH, Heidelberg, © 2016)

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Na1.85K1.85Ca2.15[Al8Si16O48]·13.53H2O (K0.51Na0.72Ca1.37Al3.96Si8.04O24[H2O]6.7) Crystal Structure

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General Information

Substance Summary

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Crystallographic Data

Cell Parameters

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Atom Coordinates

Standardized

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Published

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Displacement Parameters

Isotropic

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Anisotropic

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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

Cite this content

Download this citation

Na_1.85K_1.85Ca_2.15[Al₈Si₁₆O₄₈]·13.53H₂O (K_0.51Na_0.72Ca_1.37Al_3.96Si_8.04O₂₄[H₂O]_6.7) Crystal Structure