| 极性金属间化合物LuSn2的合成、晶体结构及能带特征(英文) |
| Synthesis, Crystal Structure and Band Structure of LuSn2 |
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| 摘要: 在惰性气氛氩气保护下，通过高温固相反应合成得到了一个新的二元极性金属间化合物LuSn2。经X-射线单晶衍射与元素分析等方法确定了其晶体结构。LuSn2属正交晶系，空间群为Cmcm，晶体学参数a=0.435 11(10) nm，b=1.601 6(4) nm，c=0.427 80(8) nm，V=0.298 12(11) nm3，Z=4，R1=0.017 0，wR2=0.032 4。LuSn2属于ZrSi2结构类型，其结构中包含有一维“之”字型Sn链与二维四方格子状Sn层，Lu原子排列在Sn链与Sn层的空隙中。能带结构计算表明LuSn2呈金属导电性。 |
| 关键词: 极性金属间化合物 高温固相反应 晶体结构 Sn化物 |
| 基金项目: |
| Abstract: A new binary intermetallic compound, LuSn2, has been synthesized by solid-state reaction of the corresponding pure elements in a welded niobium tube at high temperature. Its crystal structure was established by single-crystal X-ray diffraction. LuSn2 crystallizes in the orthorhombic space group Cmcm with a=0.435 11(10) nm, b=1.601 6(4) nm, c=0.427 80(8) nm，V=0.298 12(11) nm3, Z=4, R1=0.017 0 and wR2=0.032 4. The structure of LuSn2 belongs to the ZrSi2 type. It is isostructural with RESn2(RE=Y, Gd-Tm), featuring one-dimensional (1D) zigzag Sn chains and two-dimensional (2D) square Sn sheets, spaced by the lutetium cations. Band structure calculations indicate that LuSn2 is metallic. ICSD: 422965. |
| Keywords: intermetallic high-temperature solid-state reaction crystal structure stannide |
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| 全文下载次数: 1988 |
| 岳呈阳.极性金属间化合物LuSn2的合成、晶体结构及能带特征(英文)[J].无机化学学报,2011,27(11):2245-2250. |
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