Crystal structure and thermal expansion of a CsCe2Cl7 scintillator

Zhuravleva, M.; Lindsey, A.; Chakoumakos, B. C.; Custelcean, R.; Meilleur, F.; Hughes, R. W.; Kriven, W. M.; Melcher, C. L.

doi:10.1016/j.jssc.2015.03.032

Title: Crystal structure and thermal expansion of a CsCe₂Cl₇ scintillator

Abstract

Here we used single-crystal X-ray diffraction data to determine crystal structure of CsCe₂Cl₇. It crystallizes in a P112₁/b space group with a = 19.352(1) Å, b = 19.352(1) Å, c = 14.838(1) Å, γ = 119.87(2) ° , and V = 4818.6(5) Å³. Differential scanning calorimetry measurements combined with the structural evolution of CsCe₂Cl₇ via X-ray diffractometry over a temperature range from room temperature to the melting point indicates no obvious intermediate solid-solid phase transitions. The anisotropy in the average linear coefficient of thermal expansion of the a axis (21.3 10^-6/ °C) with respect to the b and c axes (27.0 10^-6/ °C) was determined through lattice parameter refinement of the temperature dependent diffraction patterns. Lastly, these findings suggest that the reported cracking behavior during melt growth of CsCe₂Cl₇ bulk crystals using conventional Bridgman and Czochralski techniques may be largely attributed to the anisotropy in thermal expansion.

Authors:

Zhuravleva, M. ^[1]; Lindsey, A. ^[1]; Chakoumakos, B. C. ^[2]; Custelcean, R. ^[3]; Meilleur, F. ^[4]; Hughes, R. W. ^[5]; Kriven, W. M. ^[5]; Melcher, C. L. ^[1]

Univ. of Tennessee, Knoxville, TN (United States). Scintillation Materials Research Center; Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Quantum Condensed Matter Division
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical Sciences Division
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Biology and Soft Matter Division
Univ. of Illinois, Urbana, IL (United States). Dept. of Materials Science and Engineering

Publication Date:: Mon Apr 06 00:00:00 EDT 2015

Research Org.:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1265418

Alternate Identifier(s):: OSTI ID: 1253040

Grant/Contract Number:: AC05-00OR22725; 2012-DN-077-ARI067-03

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Solid State Chemistry

Additional Journal Information:: Journal Volume: 227; Journal Issue: C; Journal ID: ISSN 0022-4596

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; scintillator; novel crystal structure; x-ray diffraction; crystal growth

Citation Formats


                    Zhuravleva, M., Lindsey, A., Chakoumakos, B. C., Custelcean, R., Meilleur, F., Hughes, R. W., Kriven, W. M., and Melcher, C. L. Crystal structure and thermal expansion of a CsCe2Cl7 scintillator.  United States: N. p., 2015. 
Web.  doi:10.1016/j.jssc.2015.03.032.

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                    Zhuravleva, M., Lindsey, A., Chakoumakos, B. C., Custelcean, R., Meilleur, F., Hughes, R. W., Kriven, W. M., & Melcher, C. L. Crystal structure and thermal expansion of a CsCe2Cl7 scintillator.  United States.  https://doi.org/10.1016/j.jssc.2015.03.032

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                    Zhuravleva, M., Lindsey, A., Chakoumakos, B. C., Custelcean, R., Meilleur, F., Hughes, R. W., Kriven, W. M., and Melcher, C. L. Mon .  
"Crystal structure and thermal expansion of a CsCe2Cl7 scintillator".  United States.  https://doi.org/10.1016/j.jssc.2015.03.032.  https://www.osti.gov/servlets/purl/1265418.

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@article{osti_1265418,

  title        = {Crystal structure and thermal expansion of a CsCe2Cl7 scintillator},

  author       = {Zhuravleva, M. and Lindsey, A. and Chakoumakos, B. C. and Custelcean, R. and Meilleur, F. and Hughes, R. W. and Kriven, W. M. and Melcher, C. L.},

  abstractNote = {Here we used single-crystal X-ray diffraction data to determine crystal structure of CsCe2Cl7. It crystallizes in a P1121/b space group with a = 19.352(1) Å, b = 19.352(1) Å, c = 14.838(1) Å, γ = 119.87(2) ° , and V = 4818.6(5) Å3. Differential scanning calorimetry measurements combined with the structural evolution of CsCe2Cl7 via X-ray diffractometry over a temperature range from room temperature to the melting point indicates no obvious intermediate solid-solid phase transitions. The anisotropy in the average linear coefficient of thermal expansion of the a axis (21.3 10-6/ °C) with respect to the b and c axes (27.0 10-6/ °C) was determined through lattice parameter refinement of the temperature dependent diffraction patterns. Lastly, these findings suggest that the reported cracking behavior during melt growth of CsCe2Cl7 bulk crystals using conventional Bridgman and Czochralski techniques may be largely attributed to the anisotropy in thermal expansion.},

  doi          = {10.1016/j.jssc.2015.03.032},

  journal      = {Journal of Solid State Chemistry},

  number       = C,

  volume       = 227,

  place        = {United States},

  year         = {Mon Apr 06 00:00:00 EDT 2015},

  month        = {Mon Apr 06 00:00:00 EDT 2015}

}

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Works referenced in this record:

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Title: Crystal structure and thermal expansion of a CsCe2Cl7 scintillator

Abstract

Citation Formats

Crystal growth and scintillation properties of Cs3CeCl6 and CsCe2Cl7 journal, March 2011

The growth and scintillation properties of CsCe2Cl7 crystal journal, December 2008

Recent Developments In The Growth Of Chalcopyrite Crystals For Nonlinear Infrared Applications journal, February 1987

Thermochemical studies on the systems ACl/CeCl3 (A=Na-Cs) journal, November 1986

Seven-coordinate trivalent rare earths: the phyllochlorides ARE2Cl7 (A  K, Rb, Cs; RE  Sm  Lu, Y) and the crystal structure of InY2Cl7 journal, April 1984

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The synthesis and structures of complex rare-earth halides journal, January 1982

Scintillation properties of RbGd/sub 2/Br/sub 7/:Ce. Advantages and limitations journal, January 1999

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Automated determination of the extinction symbol via electron diffraction data journal, March 2012

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Title: Crystal structure and thermal expansion of a CsCe₂Cl₇ scintillator

Crystal growth and scintillation properties of Cs₃CeCl₆ and CsCe₂Cl₇
journal, March 2011

The growth and scintillation properties of CsCe2Cl7 crystal
journal, December 2008

Recent Developments In The Growth Of Chalcopyrite Crystals For Nonlinear Infrared Applications
journal, February 1987

Thermochemical studies on the systems ACl/CeCl3 (A=Na-Cs)
journal, November 1986

Seven-coordinate trivalent rare earths: the phyllochlorides ARE2Cl7 (A  K, Rb, Cs; RE  Sm  Lu, Y) and the crystal structure of InY2Cl7
journal, April 1984

KDy2Cl7 und RbDy2Cl7, Phyllochlorodysprosate(III) mit fl�chen- und kantenverkn�pften einfach bekappten trigonalen Prismen
journal, August 1982

The synthesis and structures of complex rare-earth halides
journal, January 1982

Scintillation properties of RbGd/sub 2/Br/sub 7/:Ce. Advantages and limitations
journal, January 1999

Ternary Chlorides of the Trivalent Early Lanthanides. Phase diagrams, crystal structures and thermodynamic properties
journal, January 2002

Automated determination of the extinction symbol via electron diffraction data
journal, March 2012

VESTA : a three-dimensional visualization system for electronic and structural analysis
journal, May 2008

In situ , high-temperature, synchrotron, powder diffraction studies of oxide systems in air, using a thermal-image furnace
journal, May 2005

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journal, September 2006

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journal, March 2013