Refinement of the Crystal Structure of a New Intermetallic Ce2Rh2Ga

Dudka A. P.; Nesterenko S. N.; Tursina A. I

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Refinement of the Crystal Structure of a New Intermetallic Ce2Rh2Ga

机译：新型金属间化合物Ce2RH2GA的晶体结构的改进

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Crystals of a new intermetallic HT-Ce2Rh2Ga are grown by the high-temperature treatment of arc-melted alloys with stoichiometric composition. The compound crystallizes in the La2Ni3-type structure that is quite rare for intermetallics. The crystal structure of Ce2Rh2Ga is refined using two sets of ultrahigh-resolution X-ray diffraction data (sin theta/lambda <= 1.356 angstrom(-1)) obtained at 293 K: space group Cmce, Z = 4, a = 5.8646(7), b = 9.6388(7), and c = 7.4958(2) angstrom. The disordering of atoms near their averaged positions is found. The structure model is refined in the anharmonic approximation for the atomic displacements of all three atoms in the independent part of the unit cell to the values R-1/wR(2) = 1.36/1.17% and Delta rho(min)/Delta rho(max) = -0.56/0.41 e/angstrom(3) for 1649 reflections constituting a cross data set obtained by averaging two independent data sets.

机译：通过对具有化学计量成分的电弧熔炼合金进行高温处理，生长了一种新的金属间化合物HT-Ce2Rh2Ga晶体。该化合物以La2Ni3型结构结晶，这在金属间化合物中非常罕见。使用在293 K时获得的两组超高分辨率X射线衍射数据（sinθ/λ<=1.356埃（-1））：空间群Cmce，Z=4，a=5.8646（7），b=9.6388（7）和c=7.4958（2）埃，对Ce2Rh2Ga的晶体结构进行了细化。发现了原子在其平均位置附近的无序现象。在非简谐近似下，对构成两个独立数据集平均所得交叉数据集的1649次反射，结构模型进行了改进，使单胞独立部分中所有三个原子的原子位移值R-1/wR（2）=1.36/1.17%，δrho（min）/δrho（max）=-0.56/0.41 e/angstrom（3）。

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《Journal of surface investigation: x-ray, synchrotron and neutron techniques》 |2020年第6期|共5页
作者
Dudka A. P.; Nesterenko S. N.; Tursina A. I;
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作者单位

Russian Acad Sci Fed Sci Res Ctr Crystallog &

Photon Shubnikov Inst Crystallog Moscow 119333 Russia;

Lomonosov Moscow State Univ Moscow 119991 Russia;

Lomonosov Moscow State Univ Moscow 119991 Russia;

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正文语种 eng
中图分类原子核物理学、高能物理学;
关键词
X-ray analysis; intermetallics; crystal structure; cerium; rhodium; arc melting; method of interexperimental minimization; gallides; high-temperature treatment;

机译：X射线分析;金属间化合物;晶体结构;铈;铑;电弧熔炼;实验间极小化方法;加利德斯;高温处理;

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Refinement of the Crystal Structure of a New Intermetallic Ce2Rh2Ga

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