Modulated crystal structure of Pr2SbO2
Modulated crystal structure of Pr2SbO2
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DOI：
10.1107/s2052519213029436
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发表时间：
2013-12-01
影响因子：
1.9
通讯作者：
Jansen, Martin
中科院分区：
文献类型：
--
作者：
Magdysyuk, Oxana V.;Nuss, Juergen;Jansen, Martin
在正交超空间群Immm中求解了Pr_2SbO_2的晶体结构（0 β 0）000，q = 3/4 B *，a = 13.5790（15），B = 3.9818（18），c = 4.0041（18）埃（T = 40 K），由应用孪晶定律（1 0 0，0 0 1，0-10）的网状假晶面学孪晶，对应于沿倒a轴沿着旋转90度。如前所述，在Pr-2（3+）Sb 2-O22-中形成Zintl型Sb 2--Sb 2-哑铃被认为是其半导体性质的原因。三维公度超晶胞的空间群为Pmnm，a = 13.5790（15），B = 15.9272（18），c = 4.0041（18）埃（T = 40 K）.
The crystal structure of commensurately modulated Pr2SbO2 was solved in the orthorhombic superspace group Immm(0 beta 0)000, q = 3/4b*, a = 13.5790 (15), b = 3.9818 (18), c = 4.0041 (18) angstrom (T = 40 K) from a crystal twinned by reticular pseudomerohedry applying the twin law (1 0 0, 0 0 1, 0-10), corresponding to a rotation by 90 degrees along the reciprocal a axis. The formation of Zintl- type Sb2--Sb2- dumbbells in Pr-2(3+) Sb2-O22- is considered to be accountable for its semiconducting properties, as observed previously. The space group for the three- dimensional commensurate super-cell a = 13.5790 (15), b = 15.9272 (18), c = 4.0041 (18) angstrom (T = 40 K) is Pmnm.