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Li3Al(MoO4)3, a lyonsite molybdate.

Daniel E Bugaris¹, Hans-Conrad zur Loye

¹Department of Chemistry and Biochemistry, University of South Carolina, 631 Sumter Street, Columbia, SC 29208, USA.

Acta Crystallographica. Section C, Crystal Structure Communications

|June 7, 2012

Summary

Single crystals of trilithium aluminium trimolybdate(VI) were grown, revealing a lyonsite structure. This structure accommodates cationic mixing and vacancies, impacting its classification in novel compounds.

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Area of Science:

Inorganic Chemistry
Crystallography
Materials Science

Background:

The lyonsite structure type, with general formula A(16)B(12)O(48), is known to accommodate significant cationic disorder and vacancies.
This flexibility can lead to misidentification of novel compounds within the lyonsite family in existing literature.

Purpose of the Study:

To synthesize and characterize trilithium aluminium trimolybdate(VI), Li(3)Al(MoO(4))(3), single crystals.
To elucidate the crystallographic details and structural features of this compound within the lyonsite framework.

Main Methods:

Single crystal growth from α-Al(2)O(3) and MoO(3) in an Li(2)MoO(4) flux at 998 K.
Crystallographic analysis to determine atomic positions and coordination environments.

Main Results:

Trilithium aluminium trimolybdate(VI) was successfully grown as single crystals.
The compound exhibits the lyonsite structure, featuring substitutional disorder between Li(+) and Al(3+) on two octahedral sites and Li(+) on a trigonal prismatic site.
Hexagonal tunnels are formed by linked (Li,Al)O(6) octahedra and LiO(6) trigonal prisms, with isolated MoO(4) tetrahedra acting as connectors.

Conclusions:

The synthesized trilithium aluminium trimolybdate(VI) is confirmed to be an example of the lyonsite structure type.
The detailed structural analysis highlights the compound's specific cation distribution and polyhedral linkages, contributing to the understanding of the lyonsite family's structural diversity.