Al6Cl2Na8O24Si6

Sodalite · Chlorosodalite

Sodalite is a stable, insulating aluminosilicate mineral characterized by a cage-like framework structure that incorporates chlorine ions.

Crystal structure of Al6Cl2Na8O24Si6 (cubic, P-43n (No. 218))
Ground-state structure · Materials Project
Overview

About Sodalite

Al6Cl2Na8O24Si6 is a prominent member of the aluminosilicate and zeolite family, characterized by a highly ordered, cage-like framework. As a thermodynamically stable phase, it maintains structural integrity under a variety of conditions, serving as a foundational model for understanding complex mineral architectures.

Its wide-band-gap insulating nature makes it an interesting subject for materials science research, particularly in the study of ion exchange and molecular sieving. The presence of chlorine within its structure contributes to its distinct physical properties and differentiates it from other framework silicates.

At a glance

Key Properties

Cross-validated computational properties for Sodalite, aggregated across 2 databases.

Band Gap

4.34–4.70 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

35
2 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Al6Cl2Na8O24Si6, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-43n (No. 218)cubic4.700.0000-7.1732.31
C2 (No. 5)monoclinic4.340.0241-7.1482.21
P-43n (No. 218)
P-43n (No. 218)
P-43n (No. 218)
P-43n (No. 218)
P-43n (No. 218)
P-43n (No. 218)
P-43n (No. 218)
P-43n (No. 218)
P-43n (No. 218)
P-43n (No. 218)
Uses

Applications

Where Sodalite is used.

Molecular sievingIon exchange mediaPigment productionGeological research
Reference

Frequently Asked Questions

Common questions about Sodalite, answered from cross-validated data.

What is Al6Cl2Na8O24Si6?

Sodalite is a stable, insulating aluminosilicate mineral characterized by a cage-like framework structure that incorporates chlorine ions.

More questions
What is Al6Cl2Na8O24Si6 used for?
Sodalite (Al6Cl2Na8O24Si6) is used in molecular sieving, ion exchange media, pigment production, and geological research.
What is the band gap of Al6Cl2Na8O24Si6?
Sodalite (Al6Cl2Na8O24Si6) has a DFT-computed band gap of 4.34–4.70 eV across 35 reported structures.
Is Al6Cl2Na8O24Si6 a metal, semiconductor, or insulator?
With a wide band gap up to 4.70 eV it is an insulator / wide-band-gap material.
Is Al6Cl2Na8O24Si6 thermodynamically stable?
Yes — Sodalite (Al6Cl2Na8O24Si6) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Al6Cl2Na8O24Si6?
The lowest-energy reported polymorph of Sodalite (Al6Cl2Na8O24Si6) is cubic symmetry, space group P-43n (No. 218).
What is the density of Al6Cl2Na8O24Si6?
The computed density of the ground-state structure of Sodalite (Al6Cl2Na8O24Si6) is 2.31 g/cm³.
How many polymorphs of Al6Cl2Na8O24Si6 are known?
35 structures of Al6Cl2Na8O24Si6 are reported across 2 databases, spanning 2 distinct space groups.
What elements does Al6Cl2Na8O24Si6 contain?
Sodalite (Al6Cl2Na8O24Si6) contains Al, Cl, Na, O, and Si (5 elements).
Where does the data for Al6Cl2Na8O24Si6 come from?
Al6Cl2Na8O24Si6 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

Within the aluminosilicates and zeolite frameworks class.

Compared to other aluminosilicates like the framework-dense NaAlSi3O8 or the dense mineral Al2SiO5, Sodalite exhibits a unique cage-based geometry that facilitates specific chemical interactions. While members like KAlSiO4 or LiAlSiO4 often focus on alkali-metal mobility, this compound is distinguished by its specific chlorine-hosted framework, which provides a different structural environment than the layered or chain-like configurations found in other silicates.

Explore

Related Compounds

Other Aluminosilicates and Zeolite Frameworks in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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