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Experimental Determination of Chemical Formula

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The elemental makeup of a compound defines its chemical identity, and chemical formulas are the most concise way of representing this elemental makeup. When a compound’s formula is unknown, measuring the mass of its constituent elements is often the first step in determining the formula experimentally.

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Updated: Jun 11, 2025

Niobium Oxide Films Deposited by Reactive Sputtering: Effect of Oxygen Flow Rate

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Published on: September 28, 2019

Ti₄Fe₂C_0.82O_0.18.

Huizi Liu¹, Changzeng Fan^1,2, Bin Wen¹

¹State Key Laboratory of Metastable Materials Science and Technology Yanshan University,Qinhuangdao 066004 People's Republic of China.

|October 7, 2024

Summary

This summary is machine-generated.

Researchers unexpectedly synthesized a novel tetra-titanium diiron carbide oxide (Ti4Fe2C0.82O0.18) phase using high-pressure sintering. This new material features co-occupying carbon and oxygen atoms within its unique crystal structure.

Keywords:

co-occupation crystal structure high-pressure sintering intermetallics

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Area of Science:

Materials Science
Solid-State Chemistry
Crystallography

Background:

The Ti2Fe structure is known to accommodate interstitial atoms.
Previous studies have synthesized related compounds like Ti4Ni2C and Ti4Fe2O0.407.

Purpose of the Study:

To report the unexpected synthesis of a novel titanium-iron carbide oxide phase.
To characterize the crystal structure and atomic arrangement of the newly synthesized phase.

Main Methods:

High-pressure sintering (HPS) of a stoichiometric Ti2Fe mixture.
X-ray diffraction analysis to determine crystal structure and space group.
Analysis of atomic occupancy within interstitial voids.

Main Results:

Successful synthesis of the Ti4Fe2C0.82O0.18 phase.
The phase crystallizes in the Fd-3m space group.
Carbon and oxygen atoms were found to co-occupy the same octahedral void with an occupancy ratio of 0.82:0.18.

Conclusions:

The synthesized Ti4Fe2C0.82O0.18 represents a new filled Ti2Fe-type structure.
This is the first reported instance of co-occupancy of carbon and oxygen in the same site within these structures.
The findings expand the understanding of interstitial atom behavior in titanium-iron intermetallics.