Inorganic Solid Phases

Na_5.85Ca_1.90Al_9.25Si_10.75O₄₀·nH₂O (Na_2.725Ca_0.95Al_4.625Si_5.375O₂₀[H₂O]_5.5, T = 573 K) Crystal Structure

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General Information

Phase Label(s): Na_2.725Ca_0.95Al_4.625Si_5.375O₂₀[H₂O]_5.5
Structure Class(es): zeolite NAT
Classification by Properties: –
Mineral Name(s): gonnardite
Pearson Symbol: tI84
Space Group: 122
Phase Prototype: Na_2.725Ca_0.95(Al_0.46Si_0.54)₁₀O₂₀[H₂O]_5.5
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. New York, Brookhaven National Laboratory, National Synchrotron Light Source NSLS, X7A (determination of structural parameters), X-rays, synchrotron; λ = 0.07040(1) nm (determination of cell and structural parameters), T = 573 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): silicate, hydrate
Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, multiphase, R_P = 0.0268; wR_P = 0.0364
Sample Detail(s): sample prepared from tetranatrolite, amounts of Na_5.85Ca_1.90Al_9.25Si_10.75O₄₀[H₂O]₈, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Na_2.725Ca_0.95Al_4.625Si_5.375O₂₀[H₂O]_4.75
Alphabetic Formula: Al_4.625Ca_0.95[H₂O]_4.75Na_2.725O₂₀Si_5.375
Published Formula: Na_5.85Ca_1.90Al_9.25Si_10.75O₄₀·nH₂O
Refined Formula: Al_4.63Ca_0.95H_1.61Na_2.92O_20.80Si_5.37
Wyckoff Sequence: 122,e³d⁴a
Z Formula Units: 2
Density: ρ = 2.40 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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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_1601157

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 Na5.85Ca1.90Al9.25Si10.75O40·nH2O (Na2.725Ca0.95Al4.625Si5.375O20[H2O]5.5, T = 573 K) Crystal Structure sd_1601157 (Springer-Verlag GmbH, Heidelberg, © 2016)

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