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Ionic Crystal Structures

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Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
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Characterization of Electrode Materials for Lithium Ion and Sodium Ion Batteries Using Synchrotron Radiation Techniques

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Published on: November 11, 2013

Lithio-marsturite, LiCa(2)Mn(2)Si(5)O(14)(OH).

Hexiong Yang, Robert T Downs, Yongbo W Yang

Acta Crystallographica. Section E, Structure Reports Online

|December 27, 2011

Summary

This summary is machine-generated.

This study redetermined the crystal structure of lithio-marsturite, revealing unique arrangements of calcium, manganese, and silicate polyhedra. It also clarified hydrogen bonding, differing from related minerals like babingtonite.

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Area of Science:

Mineralogy
Crystallography
Geochemistry

Background:

Lithio-marsturite (LiCa(2)Mn(2)Si(5)O(14)(OH)) is a hydro-pyroxenoid mineral within the rhodonite group.
Previous structural determination by Peacor et al. (1990) lacked detailed atomic information.
Understanding its precise crystal structure is crucial for mineral classification and properties.

Purpose of the Study:

To redetermine the crystal structure of lithio-marsturite using single-crystal X-ray diffraction.
To elucidate the coordination environments of cations (Li, Ca, Mn) and the silicate framework.
To compare its structural features and hydrogen bonding with related minerals like nambulite and babingtonite.

Main Methods:

Single-crystal X-ray diffraction analysis of a natural lithio-marsturite specimen.
Structure refinement to determine atomic coordinates and displacement parameters.
Comparative analysis of coordination polyhedra and hydrogen bonding schemes.

Main Results:

The crystal structure features ribbons of edge-sharing CaO(6) and MnO(6) octahedra, and corner-sharing SiO(4) tetrahedra chains.
These ribbons form layers connected by irregular CaO(8) and LiO(6) polyhedra.
Lithio-marsturite exhibits distinct cation coordination and a reversed hydrogen-bonding scheme compared to babingtonite.

Conclusions:

The detailed crystal structure of lithio-marsturite has been accurately determined.
Its structural framework and cation coordination show similarities to nambulite and babingtonite, but with unique bonding characteristics.
The reversed hydrogen bonding in lithio-marsturite highlights the influence of local bonding environments on mineral properties.