Cubic ZrW1.75Mo0.25O8 from a Rietveld refinement based on neutron powder diffraction data
Deng, XB; Cao, YL; Tao JZ(陶举洲); Tao, JZ; Zhao, XH
刊名ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE
2009
卷号65期号:5页码:I36-U156
学科分类Crystallography
DOI10.1107/S1600536809015281
通讯作者[Deng, Xuebin ; Cao, Yilong ; Zhao, Xinhua] Beijing Normal Univ, Coll Chem, Beijing 100875, Peoples R China ; [Tao, Juzhou] Chinese Acad Sci, Inst High Energy Phys, Expt Phys Ctr, Beijing 100049, Peoples R China
文章类型Article
英文摘要The solid solution in the system Zr-Mo-W-O with composition ZrW1.75Mo0.25O8 (zirconium tungsten molybdenum octaoxide) was prepared by solid-state reactions as a polycrystalline material. Its structure has cubic symmetry (space group P2(1)3) at room temperature. The structure contains a network of corner-sharing ZrO6 octahedra (.3. symmetry) and MO4 (M = W, Mo) tetrahedra (.3. symmetry). Along the main threefold axis of the cubic unit cell, the MO4 tetrahedra are arranged in pairs forming M2O8 units in which the M1O(4) tetrahedra have larger distortions in terms of bond distances and angles than the M2O(4) tetrahedra. These units are disordered over two possible orientations, with the M-O-terminal vectors pointing to the [111] or [(111) over bar] directions. The reversal of the orientations of the M2O8 units results from the concerted flips of these units. The time-averaged proportions of flipped and unflipped M2O8 units were determined and the fraction of unflipped M2O8 units is about 0.95. The order degree of the M2O8 unit orientation is about 0.9. During the reversal process, the M-atom site has a migration about 0.93 angstrom, one of the O-atom sites has a 0.25 angstrom migration distance, whereas two other O-atom sites migrate marginally (similar to 0.08 angstrom). The results prove the constraint strategy to be a reasonable approach based on the ratcheting mechanism.
类目[WOS]Crystallography
研究领域[WOS]Crystallography
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语种英语
WOS记录号WOS:000265702000006
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被引频次:1[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.ihep.ac.cn/handle/311005/240224
专题中国科学院高能物理研究所_实验物理中心_期刊论文
中国科学院高能物理研究所_实验物理中心
作者单位中国科学院高能物理研究所
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Deng, XB,Cao, YL,Tao JZ,et al. Cubic ZrW1.75Mo0.25O8 from a Rietveld refinement based on neutron powder diffraction data[J]. ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE,2009,65(5):I36-U156.
APA Deng, XB,Cao, YL,陶举洲,Tao, JZ,&Zhao, XH.(2009).Cubic ZrW1.75Mo0.25O8 from a Rietveld refinement based on neutron powder diffraction data.ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE,65(5),I36-U156.
MLA Deng, XB,et al."Cubic ZrW1.75Mo0.25O8 from a Rietveld refinement based on neutron powder diffraction data".ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE 65.5(2009):I36-U156.
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