Inorganic Solid Phases

S-sodalite (Na_6.4Ca_1.4Al₆[SiO₄]₆S_1.6) Crystal Structure

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General Information

Phase Label(s): Na_6.4Ca_1.4Al₆[SiO₄]₆S_1.6
Structure Class(es): zeolite SOD
Classification by Properties: –
Mineral Name(s): lazurite 1C
Pearson Symbol: cP54
Space Group: 218
Phase Prototype: Na_6.4Ca_1.4Al₆[SiO₄]₆S_1.6
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): orthosilicate, sulfide
Interpretation Detail(s): complete structure determined, least-squares refinement; 144 reflections; F > 3σ(F), R = 0.072
Sample Detail(s): sample prepared from Na_6.51Ca_1.40K_0.03[Si_6.02Al_5.98O₂₄][SO₄]_1.57S_0.46[CO₂]_0.72Cl_0.09, single crystal (determination of cell parameters), single crystal, 0.03×0.04×0.04 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: Na_6.4Ca_1.4Al₆[SiO₄]₆S_1.6
Alphabetic Formula: Al₆Ca_1.4Na_6.4S_1.6[SiO₄]₆
Published Formula: S-sodalite
Refined Formula: Al₆Ca_1.41Na_6.83O₂₄S_1.58Si₆
Wyckoff Sequence: 218,ie²dca
Z Formula Units: 1
Density: ρ = 2.30 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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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_1213976

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 S-sodalite (Na6.4Ca1.4Al6[SiO4]6S1.6) Crystal Structure sd_1213976 (Springer-Verlag GmbH, Heidelberg, © 2016)

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