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Related Experiment Video

Updated: May 14, 2026

Combining Solid-state and Solution-based Techniques: Synthesis and Reactivity of Chalcogenidoplumbates(II or IV)

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Published on: December 29, 2016

Pirquitasite, Ag(2)ZnSnS(4).

Benjamin N Schumer¹, Robert T Downs, Kenneth J Domanik

¹Department of Geosciences, University of Arizona, Tucson, Arizona 85721-0077, USA.

Acta Crystallographica. Section E, Structure Reports Online

|February 21, 2013

Summary

This study determined the crystal structure of pirquitasite, a disilver zinc tin tetra-sulfide mineral. The findings clarify its space group as I-4, correcting previous suggestions and advancing mineralogical understanding.

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Area of Science:

Mineralogy
Crystallography
Geochemistry

Background:

Pirquitasite (Ag2ZnSnS4) is a tetra-gonal mineral belonging to the stannite group.
The general formula for the stannite group is A2BCX4, with variable elements in A, B, C, and X sites.
Previous structural data for pirquitasite were limited, with an uncertain space group.

Purpose of the Study:

To determine the precise crystal structure of pirquitasite.
To refine the structural model using single-crystal X-ray diffraction data.
To clarify the space group of pirquitasite.

Main Methods:

Single-crystal X-ray diffraction was employed to analyze a twinned crystal of pirquitasite.
Anisotropic displacement parameters were used for all atoms.
The crystal structure was refined, considering twinning by inversion.

Main Results:

The crystal structure of pirquitasite was determined for the first time.
The confirmed space group for pirquitasite is I-4, differing from the previously proposed I-42m.
The measured composition was (Ag1.87Cu0.13)(Zn0.61Fe0.36Cd0.03)SnS4, with specific atomic site occupancies described.

Conclusions:

The crystal structure determination provides a definitive model for pirquitasite.
The corrected space group (I-4) refines our understanding of stannite group mineral crystallography.
This research contributes to the detailed characterization of rare sulfosalt minerals.