Ti4Fe2C0.82O0.18

IUCrData Pub Date : 2024-09-01 DOI:10.1107/S2414314624008903

Huizi Liu , Changzeng Fan , Bin Wen , Lifeng Zhang

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Abstract

Ti₄Fe₂C_0.82O_0.18 is the first example where C and O atoms co-occupy the same site in filled Ti₂Fe structures.

The phase with composition Ti₄Fe₂C_0.82O_0.18, tetratitanium diiron carbide oxide, was unexpectedly synthesized by high-pressure sintering (HPS) of a stoichiometric mixture with nominal composition Ti₂Fe. The Ti₄Fe₂C_0.82O_0.18 phase crystallizes in the Fd

m space group and can be considered as the Ti₂Fe structure filled with C and O atoms co-occupying the same octahedral void [occupancy ratio 0.82 (7):0.18 (7)]. The Ti₄Fe₂C_0.82O_0.18 phase is isotypic with Ti₄Ni₂C and Ti₄Fe₂O_0.407, and is the first example where C and O atoms co-occupy the same site in filled Ti₂Fe structures.

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Ti4Fe2C0.8O0.18。

通过高压烧结（HPS）标称成分为 Ti2Fe 的化学计量混合物，意外合成了成分为 Ti4Fe2C0.82O0.18 的四钛二铁碳化物相。Ti4Fe2C0.82O0.18 相在 Fd m 空间群中结晶，可视为填充了 C 原子和 O 原子的 Ti2Fe 结构，它们共同占据同一个八面体空隙[占据比为 0.82 (7):0.18 (7)]。Ti4Fe2C0.82O0.18 相与 Ti4Ni2C 和 Ti4Fe2O0.407 同型，是填充 Ti2Fe 结构中 C 原子和 O 原子共占同一位点的第一个实例。

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