Structure Refinement of the Semiconducting Compound Cu3TaS4 from X-Ray Powder Diffraction Data

被引：15
|
作者：
Delgado, G. E. [1 ]
Contreras, J. E. [1 ]
Mora, A. J. [1 ]
Duran, S. [2 ]
Munoz, M. [2 ]
Grima-Gallardo, P. [2 ]
机构：
[1] Univ Los Andes, Fac Ciencias, Dept Quim, Lab Cristalog, Merida 5101, Venezuela
[2] Univ Los Andes, Fac Ciencias, Ctr Estudios Semicond, Dept Fis, Merida 5101, Venezuela
来源：
ACTA PHYSICA POLONICA A | 2011年 / 120卷 / 03期
关键词：
TERNARY; RELIABILITY; CRITERION; SE;
D O I：
10.12693/APhysPolA.120.468
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
The ternary compound Cu3TaS4 has been investigated by means of X-ray powder diffraction and its structure has been refined by the Rietveld method. This compound is isostructural with the sulvanite mineral Cu3VS4, and crystallizes in the cubic P (4) over bar 3m space group (No. 215), Z = 1, with unit cell parameters a = 5.5145(1) angstrom and V = 167.70(1) angstrom(3). The refinement of 14 instrumental and structural parameters converged to R-p = 4.4%, R-wp = 6.8%, R-exp= 5.5% and S = 1.2 for 4501 step intensities and 33 independent reflections.
引用
收藏
页码：468 / 472
页数：5
相关论文
共 50 条
  • [41] Structural refinement of nano BaTiO3 powder using X-ray diffraction data
    Kim, YI
    Nahm, SH
    Jung, MJ
    JOURNAL OF MATERIALS SCIENCE, 2004, 39 (13) : 4363 - 4366
  • [42] X-ray powder diffraction refinement of Cu2ZnGeTe4 structure and phase diagram of the Cu2GeTe3-ZnTe system
    Parasyuk, O.V. (oleg@lab.univer.lutsk.ua), 1600, Elsevier Ltd (397): : 1 - 2
  • [43] X-ray powder diffraction refinement of Cu2ZnGeTe4 structure and phase diagram of the Cu2GeTe3-ZnTe system
    Parasyuk, OV
    Olekseyuk, ID
    Piskach, LV
    JOURNAL OF ALLOYS AND COMPOUNDS, 2005, 397 (1-2) : 169 - 172
  • [44] Crystal structure solution from HREM images and ED data and refinement against ED and powder X-ray diffraction data
    Zou, XD
    Weirich, TE
    Bostrom, M
    Mo, ZM
    Sui, HX
    Hovmoller, S
    ELECTRON MICROSCOPY 1998, VOL 1: GENERAL INTEREST AND INSTRUMENTATION, 1998, : 385 - 386
  • [45] STRUCTURE DETERMINATION AND REFINEMENT WITH SYNCHROTRON X-RAY-POWDER DIFFRACTION DATA
    CHEETHAM, AK
    WILKINSON, AP
    JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1991, 52 (10) : 1199 - 1208
  • [46] Revisiting Na[C(CN)3] - refinement of the crystal structure from X-ray powder diffraction data, the Raman and IR spectra
    Reckeweg, Olaf
    Thiebes, Yannick
    Niewa, Rainer
    ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES, 2025, 80 (1-2): : 49 - 54
  • [47] Structure determination and refinement of acid strontium oxalate from X-ray and neutron powder diffraction
    Vanhoyland, G
    Bourée, F
    Van Bael, MK
    Mullens, J
    Van Poucke, LC
    JOURNAL OF SOLID STATE CHEMISTRY, 2001, 157 (02) : 283 - 288
  • [48] Simultaneous structure refinement of neutron, synchrotron and X-ray powder diffraction patterns
    Maichle, J.K.
    Ihringer, J.
    Prandl, W.
    Journal of Applied Crystallography, 1988, 21 (01): : 22 - 28
  • [49] THE RIETVELD STRUCTURE REFINEMENT OF THE EPIDOTE CRYSTALS FROM BUCEGI CONGLOMERATES (ROMANIA) USING X-RAY POWDER DIFFRACTION DATA
    Ciocirdel, Mihai
    Branoiu, Gheorghe Adrian
    GEOCONFERENCE ON SCIENCE AND TECHNOLOGIES IN GEOLOGY, EXPLORATION AND MINING, SGEM 2013, VOL I, 2013, : 209 - 216
  • [50] Rietveld refinement of the crystal structure of potassium iron oxalate trihydrate from laboratory X-ray powder diffraction data
    Delgado, G
    Mora, AJ
    EPDIC 7: EUROPEAN POWDER DIFFRACTION, PTS 1 AND 2, 2001, 378-3 : 655 - 658
12345