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Title: Thermally activated rotational disorder in CaMoO4 nanocrystals

Abstract

In this study, a dual-space approach, combining Rietveld and pair distribution function (PDF) analyses, has been applied to temperature-dependent synchrotron X-ray total scattering data collected on vapor diffusion sol–gel derived CaMoO4 nanocrystals. A sharp transition in Ca–O bond distances in the range of 151–163 K was identified by PDF analysis, which is attributed to the thermal activation of rotational disorder associated with the rigid MoO4 tetrahedra.

Authors:
 [1];  [1]
  1. Univ. of Southern California, Los Angeles, CA (United States)
Publication Date:
Research Org.:
Univ. of Southern California, Los Angeles, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1366727
Grant/Contract Number:  
SC0006812
Resource Type:
Accepted Manuscript
Journal Name:
CrystEngComm
Additional Journal Information:
Journal Volume: 18; Journal Issue: 24; Journal ID: ISSN 1466-8033
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Culver, Sean P., and Brutchey, Richard L. Thermally activated rotational disorder in CaMoO4 nanocrystals. United States: N. p., 2016. Web. doi:10.1039/c6ce00673f.
Culver, Sean P., & Brutchey, Richard L. Thermally activated rotational disorder in CaMoO4 nanocrystals. United States. doi:10.1039/c6ce00673f.
Culver, Sean P., and Brutchey, Richard L. Tue . "Thermally activated rotational disorder in CaMoO4 nanocrystals". United States. doi:10.1039/c6ce00673f. https://www.osti.gov/servlets/purl/1366727.
@article{osti_1366727,
title = {Thermally activated rotational disorder in CaMoO4 nanocrystals},
author = {Culver, Sean P. and Brutchey, Richard L.},
abstractNote = {In this study, a dual-space approach, combining Rietveld and pair distribution function (PDF) analyses, has been applied to temperature-dependent synchrotron X-ray total scattering data collected on vapor diffusion sol–gel derived CaMoO4 nanocrystals. A sharp transition in Ca–O bond distances in the range of 151–163 K was identified by PDF analysis, which is attributed to the thermal activation of rotational disorder associated with the rigid MoO4 tetrahedra.},
doi = {10.1039/c6ce00673f},
journal = {CrystEngComm},
number = 24,
volume = 18,
place = {United States},
year = {2016},
month = {4}
}

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Cited by: 6 works
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Works referenced in this record:

Low temperature structural variations and molar heat capacity of stolzite, PbWO4
journal, June 2010

  • Trots, Dmytro M.; Senyshyn, Anatoliy; Schwarz, Björn C.
  • Journal of Solid State Chemistry, Vol. 183, Issue 6
  • DOI: 10.1016/j.jssc.2010.03.039

Low-Temperature Synthesis of AMoO 4 (A = Ca, Sr, Ba) Scheelite Nanocrystals
journal, October 2013

  • Culver, Sean P.; Rabuffetti, Federico A.; Zhou, Shiliang
  • Chemistry of Materials, Vol. 25, Issue 20
  • DOI: 10.1021/cm402867y

Low-temperature synthesis of homogeneous solid solutions of scheelite-structured Ca 1−x Sr x WO 4 and Sr 1−x Ba x WO 4 nanocrystals
journal, January 2015

  • Culver, Sean P.; Greaney, Matthew J.; Tinoco, Antonio
  • Dalton Transactions, Vol. 44, Issue 33
  • DOI: 10.1039/C5DT01722J

Structural Disorder in AMoO 4 (A = Ca, Sr, Ba) Scheelite Nanocrystals
journal, November 2013

  • Rabuffetti, Federico A.; Culver, Sean P.; Suescun, Leopoldo
  • Inorganic Chemistry, Vol. 53, Issue 2
  • DOI: 10.1021/ic4025348

Negative thermal expansion: a review
journal, July 2009


High temperature crystal chemistry and thermal expansion of synthetic powellite (CaMoO4): A high temperature X-ray diffraction (HT-XRD) study
journal, April 2006

  • Achary, S. N.; Patwe, S. J.; Mathews, M. D.
  • Journal of Physics and Chemistry of Solids, Vol. 67, Issue 4
  • DOI: 10.1016/j.jpcs.2005.11.009

Luminescence properties of Tb3+-doped CaMoO4 nanoparticles: annealing effect, polar medium dispersible, polymer film and core–shell formation
journal, January 2012

  • Parchur, A. K.; Prasad, A. I.; Ansari, A. A.
  • Dalton Transactions, Vol. 41, Issue 36
  • DOI: 10.1039/c2dt31257c

The geometry of polyhedral distortions. Predictive relationships for the phosphate group
journal, May 1974

  • Baur, W. H.
  • Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 30, Issue 5
  • DOI: 10.1107/S0567740874004560

High-pressure structural study of the scheelite tungstates CaWO4 and SrWO4
journal, November 2005

  • Errandonea, D.; Pellicer-Porres, J.; Manjón, F. J.
  • Physical Review B, Vol. 72, Issue 17, Article No. 174106
  • DOI: 10.1103/PhysRevB.72.174106

High-pressure X-ray diffraction study of SrMoO4 and pressure-induced structural changes
journal, February 2008

  • Errandonea, Daniel; Kumar, Ravhi S.; Ma, Xinghua
  • Journal of Solid State Chemistry, Vol. 181, Issue 2
  • DOI: 10.1016/j.jssc.2007.12.010

Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
journal, September 1976


Carbon-Coated Nanophase CaMoO 4 as Anode Material for Li Ion Batteries
journal, February 2004

  • Sharma, N.; Shaju, K. M.; Subba Rao, G. V.
  • Chemistry of Materials, Vol. 16, Issue 3
  • DOI: 10.1021/cm0348287

High-pressure crystal chemistry of scheelite-type tungstates and molybdates
journal, January 1985

  • Hazen, Robert M.; Finger, Larry W.; Mariathasan, Joseph W. E.
  • Journal of Physics and Chemistry of Solids, Vol. 46, Issue 2
  • DOI: 10.1016/0022-3697(85)90039-3

An unusual temperature induced isostructural phase transition in a scheelite, Li0.5Ce0.5MoO4
journal, January 2013

  • Saha, Dipankar; Ranjan, Rajeev; Swain, Diptikanta
  • Dalton Transactions, Vol. 42, Issue 21
  • DOI: 10.1039/c3dt33033h

Negative Thermal Expansion in ZrW 2 O 8 and HfW 2 O 8
journal, January 1996

  • Evans, J. S. O.; Mary, T. A.; Vogt, T.
  • Chemistry of Materials, Vol. 8, Issue 12
  • DOI: 10.1021/cm9602959

Accurate cell dimensions for ABO4 molybdates and tungstates
journal, October 1972

  • Sleight, A. W.
  • Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 28, Issue 10
  • DOI: 10.1107/S0567740872007186

A high pressure Raman study of calcium molybdate
journal, August 1995

  • Christofilos, D.; Kourouklis, G. A.; Ves, S.
  • Journal of Physics and Chemistry of Solids, Vol. 56, Issue 8
  • DOI: 10.1016/0022-3697(95)00034-8

Thermal properties of Ca Mo O 4 : Lattice dynamics and synchrotron powder diffraction studies
journal, January 2006


Structure, thermal stability and electrical conductivity of CaMoO4+δ
journal, January 2011


Luminescence of CaWO4, CaMoO4, and ZnWO4 scintillating crystals under different excitations
journal, April 2005

  • Mikhailik, V. B.; Kraus, H.; Miller, G.
  • Journal of Applied Physics, Vol. 97, Issue 8
  • DOI: 10.1063/1.1872198

    Works referencing / citing this record:

    Charge compensations of Eu 2+ and O i 2− co-exist in Eu 3+ :CaMoO 4 single-crystal fibers grown by the micro-pulling-down method
    journal, January 2018

    • Shu, Jun; Jia, Zhitai; Damiano, Eugenio
    • CrystEngComm, Vol. 20, Issue 42
    • DOI: 10.1039/c8ce01160e

    Dysprosium-activated scheelite-type oxides as thermosensitive phosphors
    journal, January 2019

    • Perera, S. Sameera; Rabuffetti, Federico A.
    • Journal of Materials Chemistry C, Vol. 7, Issue 25
    • DOI: 10.1039/c9tc00795d