High-pressure X-ray diffraction study of SrMoO4 and pressure-induced structural changes

Errandonea, Daniel; Kumar, Ravhi S.; Ma, Xinghua; Tu, Chaoyang

doi:10.1016/j.jssc.2007.12.010

Title: High-pressure X-ray diffraction study of SrMoO₄ and pressure-induced structural changes

Journal Article · Sun Dec 09 00:00:00 EST 2007 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/j.jssc.2007.12.010· OSTI ID:1454612

Errandonea, Daniel ^[1]; Kumar, Ravhi S. ^[2]; Ma, Xinghua ^[3]; Tu, Chaoyang ^[3]

Univ. of Valencia (Spain)
Univ. of Nevada, Las Vegas, NV (United States)
Chinese Academy of Sciences (CAS), Fujian (China); Graduated School of Chinese Academy of Science, Beijing (China)

SrMoO₄ was studied under compression up to 25 GPa by angle-dispersive x-ray diffraction. A phase transition was observed from the scheelite-structured ambient phase to a monoclinic fergusonite phase at 12.2(9) GPa with cell parameters a = 5.265(9) A, b = 11.191(9) A, c = 5.195 (5) A, and beta = 90.9(1)°, Z = 4 at 13.1 GPa. There is no significant volume collapse at the phase transition. No additional phase transitions were observed and on release of pressure the initial phase is recovered, implying that the observed structural modifications are reversible. The reported transition appeared to be a ferroelastic second-order transformation producing a structure that is a monoclinic distortion of the low-pressure phase and was previously observed in compounds isostructural to SrMoO₄. A possible mechanism for the transition is proposed and its character is discussed in terms of the present data and the Landau theory. Finally, the EOS is reported and the anisotropic compressibility of the studied crystal is discussed in terms of the compression of the Sr-O and Mo-O bonds.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States). Nuclear Science and Security Consortium

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: NA0000979

OSTI ID:: 1454612

Journal Information:: Journal of Solid State Chemistry, Vol. 181, Issue 2; ISSN 0022-4596

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 83 works

Citation information provided by
Web of Science

References (61)

Accurate cell dimensions for ABO4 molybdates and tungstates Sleight, A. W. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 28, Issue 10 https://doi.org/10.1107/S0567740872007186	journal	October 1972
Single crystals for radiation detectors Ishii, Mitsuru; Kobayashi, Masaaki Progress in Crystal Growth and Characterization of Materials, Vol. 23 https://doi.org/10.1016/0960-8974(92)90025-L	journal	January 1992
Cresst-II: dark matter search with scintillating absorbers Angloher, G.; Bucci, C.; Cozzini, C. Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 520, Issue 1-3 https://doi.org/10.1016/j.nima.2003.11.254	journal	March 2004
Analysis of inorganic powders by time-wavelength resolved luminescence spectroscopy Paski, Edgar F.; Blades, M. W. Analytical Chemistry, Vol. 60, Issue 11 https://doi.org/10.1021/ac00162a025	journal	June 1988
A correlation between crystal structure and catalytic activity in the solid solutions CdMoxW1−xO4 Daturi, Macro; Savary, Laurent; Costentin, Guylene Catalysis Today, Vol. 61, Issue 1-4 https://doi.org/10.1016/S0920-5861(00)00361-8	journal	August 2000
Raman lasers at 1.171 and 1.517 μm with self-frequency conversion in SrWO ₄ :Nd ³⁺ crystal Brenier, Alain; Jia, Guohua; Tu, Chaoyang Journal of Physics: Condensed Matter, Vol. 16, Issue 49 https://doi.org/10.1088/0953-8984/16/49/025	journal	November 2004
Lattice dynamics study of scheelite tungstates under high pressure I. $Ba W O_{4}$ Manjón, F. J.; Errandonea, D.; Garro, N. Physical Review B, Vol. 74, Issue 14 https://doi.org/10.1103/PhysRevB.74.144111	journal	October 2006
Lattice dynamics study of scheelite tungstates under high pressure II. $Pb W O_{4}$ Manjon, F. J.; Errandonea, D.; Garro, N. Physical Review B, Vol. 74, Issue 14 https://doi.org/10.1103/PhysRevB.74.144112	journal	October 2006
High-pressure structural study of the scheelite tungstates ${CaWO}_{4}$ and ${SrWO}_{4}$ Errandonea, D.; Pellicer-Porres, J.; Manjón, F. J. Physical Review B, Vol. 72, Issue 17, Article No. 174106 https://doi.org/10.1103/PhysRevB.72.174106	journal	November 2005
Determination of the high-pressure crystal structure of $Ba W O_{4}$ and $Pb W O_{4}$ Errandonea, D.; Pellicer-Porres, J.; Manjón, F. J. Physical Review B, Vol. 73, Issue 22 https://doi.org/10.1103/PhysRevB.73.224103	journal	June 2006
High-pressure Raman study and lattice dynamical calculations for SrWO ₄ Christofilos, D.; Papagelis, K.; Ves, S. Journal of Physics: Condensed Matter, Vol. 14, Issue 47 https://doi.org/10.1088/0953-8984/14/47/334	journal	November 2002
Pressure Induced Phase Transitions in Alkaline Earth Tungstates Christofilos, D.; Ves, S.; Kourouklis, G. A. physica status solidi (b), Vol. 198, Issue 1 https://doi.org/10.1002/pssb.2221980172	journal	November 1996
High pressure phase transitions in BaWO4 Panchal, Vinod; Garg, Nandini; Chauhan, A. K. Solid State Communications, Vol. 130, Issue 3-4 https://doi.org/10.1016/j.ssc.2004.01.043	journal	April 2004
Phase transitions and amorphization of CaWO4 at high pressure Errandonea, Daniel; Somayazulu, Maddury; Häusermann, Daniel physica status solidi (b), Vol. 235, Issue 1 https://doi.org/10.1002/pssb.200301412	journal	January 2003
CaWO4: A New High-Pressure and High-Temperature Phase Errandonea, D.; Somayazulu, M.; H�usermann, D. physica status solidi (b), Vol. 231, Issue 1 https://doi.org/10.1002/1521-3951(200205)231:13.0.CO;2-7	journal	May 2002
Raman study of polycrystalline PbWO ₄ under high pressure Christofilos, D.; Efthimiopoulos, E.; Arvanitidis, J. High Pressure Research, Vol. 26, Issue 4 https://doi.org/10.1080/08957950601102751	journal	December 2006
High-pressure X-ray diffraction study of EuWO4 to 12 GPa Errandonea, Daniel physica status solidi (b), Vol. 242, Issue 14 https://doi.org/10.1002/pssb.200541334	journal	November 2005
Landau theory applied to phase transitions in calcium orthotungstate and isostructural compounds Errandonea, D. Europhysics Letters (EPL), Vol. 77, Issue 5 https://doi.org/10.1209/0295-5075/77/56001	journal	February 2007
Effects of high pressure on the optical absorption spectrum of scintillating PbWO4 crystals Errandonea, D.; Martínez-García, D.; Lacomba-Perales, R. Applied Physics Letters, Vol. 89, Issue 9 https://doi.org/10.1063/1.2345228	journal	August 2006
High pressure Raman study of BaMoO4 Christofilos, D.; Arvanitidis, J.; Kampasakali, E. physica status solidi (b), Vol. 241, Issue 14 https://doi.org/10.1002/pssb.200405234	journal	November 2004
Effect of high pressure on the Raman and electronic absorption spectra of ${PbMoO}_{4}$ and ${PbWO}_{4}$ Jayaraman, A.; Batlogg, B.; VanUitert, L. G. Physical Review B, Vol. 31, Issue 8 https://doi.org/10.1103/PhysRevB.31.5423	journal	April 1985
High-pressure Raman study of SrMoO4 up to 37 GPa and pressure-induced phase transitions Jayaraman, A.; Wang, S. Y.; Shieh, S. R. Journal of Raman Spectroscopy, Vol. 26, Issue 6 https://doi.org/10.1002/jrs.1250260609	journal	June 1995
Temperature and pressure dependence of Raman-active phonons of CaMoO ₄ : an anharmonicity study Sarantopoulou, E.; Raptis, C.; Ves, S. Journal of Physics: Condensed Matter, Vol. 14, Issue 39 https://doi.org/10.1088/0953-8984/14/39/302	journal	September 2002
High-pressure Raman investigation on ${CdMoO}_{4}$ and pressure-induced phase transformations Jayaraman, A.; Wang, S. Y.; Sharma, S. K. Physical Review B, Vol. 52, Issue 14 https://doi.org/10.1103/PhysRevB.52.9886	journal	October 1995
Raman and x-ray diffraction investigations on BaMoO ₄ under high pressures Panchal, Vinod; Garg, Nandini; Sharma, Surinder M. Journal of Physics: Condensed Matter, Vol. 18, Issue 16 https://doi.org/10.1088/0953-8984/18/16/002	journal	April 2006
Pressure-induced phase transitions in CdMoO4: An in-situ high pressure X-ray diffraction study up to 52 GPa Shieh, S. R.; Ming, L. C.; Jayaraman, A. Journal of Physics and Chemistry of Solids, Vol. 57, Issue 2 https://doi.org/10.1016/0022-3697(95)00196-4	journal	February 1996
Crystal stability and pressure-induced phase transitions in scheelite AWO4 (A = Ca, Sr, Ba, Pb, Eu) binary oxides. I: A review of recentab initio calculations, ADXRD, XANES, and Raman studies López-Solano, J.; Rodríguez-Hernández, P.; Radescu, S. physica status solidi (b), Vol. 244, Issue 1 https://doi.org/10.1002/pssb.200672559	journal	January 2007
Czochralski technique growth of pure and rare-earth-doped SrWO4 crystals Jia, Guohua; Tu, Chaoyang; You, Zhenyu Journal of Crystal Growth, Vol. 273, Issue 1-2 https://doi.org/10.1016/j.jcrysgro.2004.07.095	journal	December 2004
Crystal Structure Refinement of SrMoO ₄ , SrWO ₄ , CaMoO ₄ , and BaWO ₄ by Neutron Diffraction Gürmen, Erdogan; Daniels, Eugene; King, J. S. The Journal of Chemical Physics, Vol. 55, Issue 3 https://doi.org/10.1063/1.1676191	journal	August 1971
Characteristics of silicone fluid as a pressure transmitting medium in diamond anvil cells Shen, Yongrong; Kumar, Ravhi S.; Pravica, Michael Review of Scientific Instruments, Vol. 75, Issue 11 https://doi.org/10.1063/1.1786355	journal	November 2004
Pressure-induced transition in titanium metal a systematic study of the effects of uniaxial stress Errandonea, Daniel; Meng, Y.; Somayazulu, M. Physica B: Condensed Matter, Vol. 355, Issue 1-4, p. 116-125 https://doi.org/10.1016/j.physb.2004.10.030	journal	January 2005
Two-dimensional detector software: From real detector to idealised image or two-theta scan Hammersley, A. P.; Svensson, S. O.; Hanfland, M. High Pressure Research, Vol. 14, Issue 4-6, p. 235-248 https://doi.org/10.1080/08957959608201408	journal	January 1996
Effects of pressure on the local atomic structure of CaWO4 and YLiF4: mechanism of the scheelite-to-wolframite and scheelite-to-fergusonite transitions Errandonea, D.; Manjón, F. J.; Somayazulu, M. Journal of Solid State Chemistry, Vol. 177, Issue 4-5 https://doi.org/10.1016/j.jssc.2003.10.017	journal	April 2004
Finite strain isotherm and velocities for single-crystal and polycrystalline NaCl at high pressures and 300°K Birch, Francis Journal of Geophysical Research, Vol. 83, Issue B3, p. 1257-1268 https://doi.org/10.1029/JB083iB03p01257	journal	January 1978
High-pressure crystal chemistry of scheelite-type tungstates and molybdates Hazen, Robert M.; Finger, Larry W.; Mariathasan, Joseph W. E. Journal of Physics and Chemistry of Solids, Vol. 46, Issue 2 https://doi.org/10.1016/0022-3697(85)90039-3	journal	January 1985
Thermal expansion of strontium molybdate Deshpande, V. T.; Suryanarayana, S. V. Acta Crystallographica Section A, Vol. 28, Issue 1 https://doi.org/10.1107/S056773947200021X	journal	January 1972
High temperature crystal chemistry and thermal expansion of synthetic powellite (CaMoO4): A high temperature X-ray diffraction (HT-XRD) study Achary, S. N.; Patwe, S. J.; Mathews, M. D. Journal of Physics and Chemistry of Solids, Vol. 67, Issue 4 https://doi.org/10.1016/j.jpcs.2005.11.009	journal	April 2006
High-pressure behavior of LaNbO ₄ Mariathasan, J. W. E.; Finger, L. W.; Hazen, R. M. Acta Crystallographica Section B Structural Science, Vol. 41, Issue 3 https://doi.org/10.1107/S0108768185001902	journal	June 1985
Crystal stability and pressure-induced phase transitions in scheelite AWO4 (A = Ca, Sr, Ba, Pb, Eu) binary oxides. II: Towards a systematic understanding Manjón, F. J.; Errandonea, D.; López-Solano, J. physica status solidi (b), Vol. 244, Issue 1 https://doi.org/10.1002/pssb.200672588	journal	January 2007
Systématique simplifiée des composés ABX4 (X = O2−, F−) et evolution possible de leurs structures cristallines sous pression Bastide, J. P. Journal of Solid State Chemistry, Vol. 71, Issue 1 https://doi.org/10.1016/0022-4596(87)90149-6	journal	November 1987
Melting of the alkaline-earth metals to 80 GPa Errandonea, Daniel; Boehler, Reinhard; Ross, Marvin Physical Review B, Vol. 65, Issue 1 https://doi.org/10.1103/PhysRevB.65.012108	journal	December 2001
Crystal structure from one-electron theory Skriver, Hans L. Physical Review B, Vol. 31, Issue 4 https://doi.org/10.1103/PhysRevB.31.1909	journal	February 1985
�ber tern�re Oxide des Niobs und Tantals vom Typ ABO4 Keller, C. Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 318, Issue 1-2 https://doi.org/10.1002/zaac.19623180108	journal	September 1962
Cation Sublattice and Coordination Polyhedra inABO4Type of Structures Depero, Laura E.; Sangaletti, Luigi Journal of Solid State Chemistry, Vol. 129, Issue 1 https://doi.org/10.1006/jssc.1996.7234	journal	February 1997
BaWO ₄ -II (a high-pressure form) Kawada, I.; Kato, K.; Fujita, T. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 30, Issue 8 https://doi.org/10.1107/S0567740874006431	journal	August 1974
The crystal structure of HgMoO ₄ and related compounds Jeitschko, W.; Sleight, A. W. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 29, Issue 4 https://doi.org/10.1107/S056774087300347X	journal	April 1973
Raspite from Broken Hill Fujita, T.; Kawada, I.; Kato, K. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 33, Issue 1 https://doi.org/10.1107/S056774087700291X	journal	January 1977
Crystal structure of the high-pressure modification of NdTaO4 Titov, Yu. A.; Sych, A. M.; Sokolov, A. N. Journal of Alloys and Compounds, Vol. 311, Issue 2 https://doi.org/10.1016/S0925-8388(00)01043-4	journal	October 2000
Crystal Structure of Pyroelectric Paramagnetic Barium Manganese Fluoride, BaMnF ₄ Keve, E. T.; Abrahams, S. C.; Bernstein, J. L. The Journal of Chemical Physics, Vol. 51, Issue 11 https://doi.org/10.1063/1.1671885	journal	December 1969
The structure of some alkaline-earth metal uranates Loopstra, B. O.; Rietveld, H. M. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 25, Issue 4 https://doi.org/10.1107/S0567740869002974	journal	April 1969
Phase behavior of metals at very high P–T conditions: A review of recent experimental studies Errandonea, Daniel Journal of Physics and Chemistry of Solids, Vol. 67, Issue 9-10 https://doi.org/10.1016/j.jpcs.2006.05.031	journal	September 2006
SrWO4 at high pressures Grzechnik, A.; Crichton, W. A.; Hanfland, M. physica status solidi (b), Vol. 242, Issue 14 https://doi.org/10.1002/pssb.200540106	journal	November 2005
Structural transformation of compressed solid Ar: An x-ray diffraction study to $114 GPa$ Errandonea, D.; Boehler, R.; Japel, S. Physical Review B, Vol. 73, Issue 9 https://doi.org/10.1103/PhysRevB.73.092106	journal	March 2006
Phase behavior of krypton and xenon to 50 GPa Errandonea, Daniel; Schwager, Beate; Boehler, Reinhard Physical Review B, Vol. 65, Issue 21 https://doi.org/10.1103/PhysRevB.65.214110	journal	June 2002
New $β$ (fcc)-Cobalt to 210 GPa Yoo, C. S.; Cynn, H.; Söderlind, P. Physical Review Letters, Vol. 84, Issue 18 https://doi.org/10.1103/PhysRevLett.84.4132	journal	May 2000
Monoclinic-to-Tetragonal Phase Transformation in a Ceramic Rare-Earth Orthoniobate, LaNbO ₄ Jian, Li; Wayman, C. M. Journal of the American Ceramic Society, Vol. 80, Issue 3 https://doi.org/10.1111/j.1151-2916.1997.tb02905.x	journal	March 1997
Strain-tensor components expressed in terms of lattice parameters Schlenker, J. L.; Gibbs, G. V.; Boisen, M. B. Acta Crystallographica Section A, Vol. 34, Issue 1 https://doi.org/10.1107/S0567739478000108	journal	January 1978
Determination of the State Parameters and Formulation of Spontaneous Strain for Ferroelastics Aizu, Kêitsiro Journal of the Physical Society of Japan, Vol. 28, Issue 3 https://doi.org/10.1143/JPSJ.28.706	journal	March 1970
Phase transitions in ruthenium dioxide up to 40 GPa: Mechanism for the rutile-to-fluorite phase transformation and a model for the high-pressure behavior of stishovite ${SiO}_{2}$ Haines, Julian; Léger, J. M. Physical Review B, Vol. 48, Issue 18 https://doi.org/10.1103/PhysRevB.48.13344	journal	November 1993
Indications of a ferroelastic phase transition in from pulsed electron paramagnetic resonance and dielectric studies Simon, J.; Banys, J.; Hoentsch, J. Journal of Physics: Condensed Matter, Vol. 8, Issue 25 https://doi.org/10.1088/0953-8984/8/25/001	journal	June 1996
Soft acoustic mode in ferroelastic BiV $O_{4}$ Benyuan, Gu; Copic, M.; Cummins, H. Z. Physical Review B, Vol. 24, Issue 7 https://doi.org/10.1103/PhysRevB.24.4098	journal	October 1981

Cited By (6)

Characterization of the ${TiSiO}_{4}$ structure and its pressure-induced phase transformations: Density functional theory study Gracia, L.; Beltrán, A.; Errandonea, D. Physical Review B, Vol. 80, Issue 9 https://doi.org/10.1103/physrevb.80.094105	journal	September 2009
Electronic structure, growth mechanism and photoluminescence of CaWO ₄ crystals Cavalcante, L. S.; Longo, V. M.; Sczancoski, J. C. CrystEngComm, Vol. 14, Issue 3 https://doi.org/10.1039/c1ce05977g	journal	January 2012
Crystal structures and phase transition behaviour in the 5d transition metal oxides AReO ₄ (A = Ag, Na, K, Rb, Cs and Tl) Chay, Clarissa; Avdeev, Maxim; Brand, Helen E. A. Dalton Transactions, Vol. 48, Issue 47 https://doi.org/10.1039/c9dt04021h	journal	January 2019
Highly selective electrochemical detection of antipsychotic drug chlorpromazine in drug and human urine samples based on peas-like strontium molybdate as an electrocatalyst Vinoth Kumar, Jeyaraj; Karthik, Raj; Chen, Shen-Ming Inorganic Chemistry Frontiers, Vol. 5, Issue 3 https://doi.org/10.1039/c7qi00743d	journal	January 2018
High-pressure polymorphs of gadolinium orthovanadate: X-ray diffraction, Raman spectroscopy, and ab initio calculations Marqueño, T.; Errandonea, D.; Pellicer-Porres, J. Physical Review B, Vol. 100, Issue 6 https://doi.org/10.1103/physrevb.100.064106	journal	August 2019
High-pressure phase transformations in NdVO ₄ under hydrostatic, conditions: a structural powder x-ray diffraction study Marqueño, T.; Monteseguro, V.; Cova, F. Journal of Physics: Condensed Matter, Vol. 31, Issue 23 https://doi.org/10.1088/1361-648x/ab0dc2	journal	March 2019

Similar Records

High-pressure X-ray diffraction study of SrMoO{sub 4} and pressure-induced structural changes

Journal Article · Fri Feb 15 00:00:00 EST 2008 · Journal of Solid State Chemistry · OSTI ID:1454612

Errandonea, Daniel; Kumar, Ravhi S; Xinghua, Ma; +1 more

Determination of the high-pressure crystal structure of BaWO{sub 4} and PbWO{sub 4}

Journal Article · Thu Jun 01 00:00:00 EDT 2006 · Physical Review. B, Condensed Matter and Materials Physics · OSTI ID:1454612

Errandonea, D; Pellicer-Porres, J; Segura, A; +10 more

Polymorphism in Strontium Tungstate SrWO₄ under Quasi-Hydrostatic Compression

Journal Article · Mon Oct 03 00:00:00 EDT 2016 · Inorganic Chemistry · OSTI ID:1454612

Santamaria-Perez, David; Errandonea, Daniel; Rodriguez-Hernandez, Placida; +4 more

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Title: High-pressure X-ray diffraction study of SrMoO4 and pressure-induced structural changes

Citation Formats

References (61)

Cited By (6)

Similar Records

Related Subjects

Title: High-pressure X-ray diffraction study of SrMoO₄ and pressure-induced structural changes