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

Ti4Fe2C0.82O0.18 is the first example where C and O atoms co-occupy the same site in filled Ti2Fe structures.
The phase with composition Ti4Fe2C0.82O0.18, tetra­titanium diiron carbide oxide, was unexpectedly synthesized by high-pressure sinter­ing (HPS) of a stoichiometric mixture with nominal composition Ti2Fe. The Ti4Fe2C0.82O0.18 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 Ti4Fe2C0.82O0.18 phase is isotypic with Ti4Ni2C and Ti4Fe2O0.407, 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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