单晶PrCa4O[BO3]3的晶体结构

IF 0.9 4区材料科学 Q3 CRYSTALLOGRAPHY

Zeitschrift Fur Kristallographie-Crystalline Materials Pub Date : 2022-02-16 DOI:10.1515/zkri-2021-2072

T. Weigel, J. Hanzig, E. Mehner

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引用次数: 2

摘要

摘要:采用Czochralski法生长PrCa4O[BO3]3单晶。该前驱体材料在O2气氛下通过固相反应合成，在H2含量为20%的N2气氛下研磨后烧结。在氮气气氛下，以定向GdCa4O[BO3]3晶种生长Czochralski晶体。得到了一个圆柱体长20 mm、直径15 mm、重23.1 g的PrCa4O[BO3]3晶体。利用空间群为C1m1 (No. 8)的单斜晶系的单晶x射线衍射数据求解晶体结构，晶格参数a = 8.1293(6) Å， b = 16.062(1) Å， c = 3.6023(2) Å， β = 101.371(2)°，公式单位为2，最终R-和wr2值均小于3.8%。Pr和Ca混合占用率为6.0%。

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The crystal structure of single crystalline PrCa4O[BO3]3

Abstract PrCa4O[BO3]3 was grown as a single crystal by the Czochralski method. The precursor material was synthesized by solid state reaction under O2 atmosphere and sintered after grinding under N2 atmosphere with a content of 20% H2. The Czochralski crystal growth proceeded under N2 atmosphere with an <010> oriented GdCa4O[BO3]3 crystal seed. A PrCa4O[BO3]3 crystal with a cylinder length of 20 mm, a diameter of 15 mm, and weight of 23.1 g was obtained. The crystal structure was solved from single crystal X-ray diffraction data in the monoclinic crystal system with space group C1m1 (No. 8), the lattice parameters a = 8.1293(6) Å, b = 16.062(1) Å, c = 3.6023(2) Å, β = 101.371(2)°, formula units of 2 and final R- and wR2-values below 3.8%. A mixed occupancy between Pr and Ca of 6.0% was found.

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来源期刊

Zeitschrift Fur Kristallographie-Crystalline Materials CRYSTALLOGRAPHY-

CiteScore

2.00

自引率

16.70%

发文量

期刊介绍： Zeitschrift für Kristallographie – Crystalline Materials was founded in 1877 by Paul von Groth and is today one of the world’s oldest scientific journals. It offers a place for researchers to present results of their theoretical experimental crystallographic studies. The journal presents significant results on structures and on properties of organic/inorganic substances with crystalline character, periodically ordered, modulated or quasicrystalline on static and dynamic phenomena applying the various methods of diffraction, spectroscopy and microscopy.