中国科学院机构知识库网格系统: Cubic ZrW1.75Mo0.25O8 from a Rietveld refinement based on neutron powder diffraction data

Cubic ZrW1.75Mo0.25O8 from a Rietveld refinement based on neutron powder diffraction data

文献类型：期刊论文

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作者	Deng, XB; Cao, YL; Tao JZ(陶举洲); Tao, JZ; Zhao, XH
刊名	ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE ; ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE
出版日期	2009 ; 2009
卷号	65 期号:5 页码:I36-U156
DOI	10.1107/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 ; [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
文献子类	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.; 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.
学科主题	Crystallography ; Crystallography
类目[WOS]	Crystallography
研究领域[WOS]	Crystallography
URL标识	查看原文
WOS研究方向	Crystallography
原文出处	SCI
语种	英语 ; 英语
WOS记录号	WOS:000265702000006 ; WOS:000265702000006
源URL	[http://ir.ihep.ac.cn/handle/311005/240224]
专题	高能物理研究所_实验物理中心高能物理研究所_东莞分部
作者单位	中国科学院高能物理研究所
推荐引用方式 GB/T 7714	Deng, XB,Cao, YL,Tao JZ,et al. Cubic ZrW1.75Mo0.25O8 from a Rietveld refinement based on neutron powder diffraction data, Cubic ZrW1.75Mo0.25O8 from a Rietveld refinement based on neutron powder diffraction data[J]. ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE,2009, 2009,65, 65(5):I36-U156, 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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来源：高能物理研究所

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Cubic ZrW1.75Mo0.25O8 from a Rietveld refinement based on neutron powder diffraction data

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