Phase transitions in orthopyroxene (En90) to 49GPa from single-crystal X-ray diffraction

Finkelstein, Gregory J.; Dera, Przemyslaw K.; Duffy, Thomas S.

doi:10.1016/j.pepi.2014.10.009

Title: Phase transitions in orthopyroxene (En₉₀) to 49GPa from single-crystal X-ray diffraction

Journal Article · Wed Oct 29 00:00:00 EDT 2014 · Physics of the Earth and Planetary Interiors

DOI:https://doi.org/10.1016/j.pepi.2014.10.009· OSTI ID:1338326

Finkelstein, Gregory J. ^[1]; Dera, Przemyslaw K. ^[2]; Duffy, Thomas S. ^[1]

Princeton Univ., NJ (United States)
Univ. of Hawaii, Honolulu, HI (United States); Univ. of Chicago, IL (United States)

Synchrotron-based high-pressure single-crystal X-ray diffraction experiments were conducted on ~Mg_0.9Fe_0.1SiO₃ (En₉₀) orthopyroxene crystals at room temperature to a maximum pressure of 48.5 GPa. The sample was compressed in a diamond anvil cell with a neon pressure medium and a gold pressure calibrant. In addition to the previously described orthopyroxene to β-opx transition (designated HPCEN2 in previous studies), we observe two further phase transitions at 29.9 GPa and 40.3 GPa. However, we do not observe the γ-opx phase recently described in an Fe-rich orthopyroxene composition. The structures of both of the new phases were solved in space group Pca21. While their Mg-O layers remain pyroxene-like, their Si-O layers transform in a stepwise fashion to akimotoite-like sheets, with sites in 4-, 5-, or 6-fold coordination, depending on the specific structure and layer. Due to the increased Si-O coordination number, we designate the new structures α- and β-post-orthopyroxene (α-popx and β-popx). α-popx has one Si-O layer that is entirely tetrahedral, and one layer that contains both tetrahedra and 5-coordinated Si in distorted square pyramids. β-popx retains the mixed 4- and 5-coordinated Si layer found in α-popx, while the other Si layer adopts fully octahedral coordination. The α- and β-popx structures show a progressive transformation towards the arrangement of Si layers found in akimotoite, a potentially important phase in the earth’s transition zone. Metastable transformations in pyroxenes are of interest for understanding possible metastability in geological environments such as subducting slabs and meteorite impacts

View Accepted Manuscript (DOE)

View Accepted Manuscript (Publisher)

Cite

Export

Save

Research Organization:: Carnegie Inst. of Science, Washington, DC (United States). Geophysical Lab.

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

Grant/Contract Number:: NA0002006

OSTI ID:: 1338326

Alternate ID(s):: OSTI ID: 1251985

Journal Information:: Physics of the Earth and Planetary Interiors, Vol. 244, Issue C; ISSN 0031-9201

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 38 works

Citation information provided by
Web of Science

References (54)

Shock-induced melting of MgSiO ₃ perovskite and implications for melts in Earth's lowermost mantle Akins, Joseph A. Geophysical Research Letters, Vol. 31, Issue 14 https://doi.org/10.1029/2004GL020237	journal	January 2004
Heating-induced phase transformation in zeolite brewsterite: new 4- and 5-coordinated (Si,Al) sites Alberti, A.; Sacerdoti, M.; Quartieri, S. Physics and Chemistry of Minerals, Vol. 26, Issue 3 https://doi.org/10.1007/s002690050175	journal	February 1999
Equations of state and thermodynamic properties of enstatite pyroxenes Angel, R. J.; Hugh-Jones, D. A. Journal of Geophysical Research: Solid Earth, Vol. 99, Issue B10 https://doi.org/10.1029/94JB01750	journal	October 1994
Elasticity and equation of state of orthoenstatite, MgSiO ₃ Angel, Ross J.; Jackson, Jennifer M. American Mineralogist, Vol. 87, Issue 4 https://doi.org/10.2138/am-2002-0419	journal	April 2002
Stability of high-density clinoenstatite at upper-mantle pressures Angel, R. J.; Chopelas, A.; Ross, N. L. Nature, Vol. 358, Issue 6384 https://doi.org/10.1038/358322a0	journal	July 1992
Structural characterization of pentacoordinate silicon in a calcium silicate Angel, R. J.; Ross, N. L.; Seifert, F. Nature, Vol. 384, Issue 6608 https://doi.org/10.1038/384441a0	journal	December 1996
Effective hydrostatic limits of pressure media for high-pressure crystallographic studies Angel, Ross J.; Bujak, Maciej; Zhao, Jing Journal of Applied Crystallography, Vol. 40, Issue 1 https://doi.org/10.1107/S0021889806045523	journal	January 2007
A Bond Path: A Universal Indicator of Bonded Interactions Bader, R. F. W. The Journal of Physical Chemistry A, Vol. 102, Issue 37 https://doi.org/10.1021/jp981794v	journal	September 1998
Theoretical study of a five-coordinated silica polymorph Badro, James; Teter, David M.; Downs, Robert T. Physical Review B, Vol. 56, Issue 10 https://doi.org/10.1103/PhysRevB.56.5797	journal	September 1997
Possible presence of high-pressure ice in cold subducting slabs Bina, Craig R.; Navrotsky, Alexandra Nature, Vol. 408, Issue 6814 https://doi.org/10.1038/35048555	journal	December 2000
Thermodynamic parameters in the Earth as determined from seismic profiles Brown, J. M.; Shankland, T. J. Geophysical Journal International, Vol. 66, Issue 3 https://doi.org/10.1111/j.1365-246X.1981.tb04891.x	journal	September 1981
Molecular dynamics simulations of seismic discontinuities and phase transitions of MgSiO ₃ from 4 to 6-coordinated silicate via a novel 5-coordinated phase Chaplot, S. L.; Choudhury, N. American Mineralogist, Vol. 86, Issue 5-6 https://doi.org/10.2138/am-2001-5-616	journal	May 2001
Metastable high-pressure transformations of orthoferrosilite Fs82 Dera, Przemyslaw; Finkelstein, Gregory J.; Duffy, Thomas S. Physics of the Earth and Planetary Interiors, Vol. 221 https://doi.org/10.1016/j.pepi.2013.06.006	journal	August 2013
Orthopyroxene from the Serra de Mage Meteorite; a structure-refinement procedure for a Pbca phase coexisting with a C2/c exsolved phase Domeneghetti, M. Chiara; Tazzoli, Vittorio; Ballaran, Tiziana Boffa American Mineralogist, Vol. 81, Issue 7-8 https://doi.org/10.2138/am-1996-7-806	journal	August 1996
Effects of Fe-enrichment on the equation of state and stability of (Mg,Fe)SiO3 perovskite Dorfman, Susannah M.; Meng, Yue; Prakapenka, Vitali B. Earth and Planetary Science Letters, Vol. 361 https://doi.org/10.1016/j.epsl.2012.10.033	journal	January 2013
The coordination numbers of Na and K atoms in low albite and microcline as determined from a procrystal electron-density distribution Downs, Robert T.; Andalman, Aaron; Hudacsko, Marc American Mineralogist, Vol. 81, Issue 11-12 https://doi.org/10.2138/am-1996-11-1206	journal	December 1996
A comparison of procrystal and ab initio model representations of the electron-density distributions of minerals Downs, R. T.; Gibbs, G. V.; Boisen Jr, M. B. Physics and Chemistry of Minerals, Vol. 29, Issue 5 https://doi.org/10.1007/s00269-001-0236-0	journal	June 2002
Preliminary reference Earth model Dziewonski, Adam M.; Anderson, Don L. Physics of the Earth and Planetary Interiors, Vol. 25, Issue 4 https://doi.org/10.1016/0031-9201(81)90046-7	journal	June 1981
Internally consistent thermodynamic data and equilibrium phase relations for compounds in the system MgO-SiO ₂ at high pressure and high temperature Fei, Yingwei; Saxena, Surendra K.; Navrotsky, Alexandra Journal of Geophysical Research, Vol. 95, Issue B5 https://doi.org/10.1029/JB095iB05p06915	journal	January 1990
Toward an internally consistent pressure scale Fei, Y.; Ricolleau, A.; Frank, M. Proceedings of the National Academy of Sciences, Vol. 104, Issue 22 https://doi.org/10.1073/pnas.0609013104	journal	May 2007
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
Metastability of enstatite in deep subducting lithosphere Hogrefe, A.; Rubie, D. C.; Sharp, T. G. Nature, Vol. 372, Issue 6504 https://doi.org/10.1038/372351a0	journal	November 1994
High-pressure phase transitions in MgSiO3 orthoenstatite studied by atomistic computer simulation Jahn, S. American Mineralogist, Vol. 93, Issue 4 https://doi.org/10.2138/am.2008.2710	journal	April 2008
Ortho/clinoenstatite transition Kanzaki, Masami Physics and Chemistry of Minerals, Vol. 17, Issue 8 https://doi.org/10.1007/BF00202244	journal	May 1991
Corrections to tabulated anomalous-scattering factors Kissel, L.; Pratt, R. H. Acta Crystallographica Section A Foundations of Crystallography, Vol. 46, Issue 3 https://doi.org/10.1107/S0108767389010718	journal	March 1990
In situ measurements of sound velocities and densities across the orthopyroxene → high-pressure clinopyroxene transition in MgSiO3 at high pressure Kung, Jennifer; Li, Baosheng; Uchida, Takeyuki Physics of the Earth and Planetary Interiors, Vol. 147, Issue 1 https://doi.org/10.1016/j.pepi.2004.05.008	journal	October 2004
Pentacoordinate silicon intermediate states during silicate condensation and decondensation. Crystallographic support Liebau, F. Inorganica Chimica Acta, Vol. 89, Issue 1 https://doi.org/10.1016/S0020-1693(00)82422-6	journal	October 1984
Pressure-induced metastable phase transition in orthoenstatite (MgSiO3) at room temperature: a Raman spectroscopic study Lin, Chung-Cherng Journal of Solid State Chemistry, Vol. 174, Issue 2 https://doi.org/10.1016/S0022-4596(03)00278-0	journal	September 2003
Survival of pyropic garnet in subducting plates Nishi, Masayuki; Kato, Takumi; Kubo, Tomoaki Physics of the Earth and Planetary Interiors, Vol. 170, Issue 3-4 https://doi.org/10.1016/j.pepi.2008.03.013	journal	November 2008
Reversals of the orthoenstatite-clinoenstatite transition at high pressures and high temperatures Pacalo, R. E. G.; Gasparik, T. Journal of Geophysical Research, Vol. 95, Issue B10 https://doi.org/10.1029/JB095iB10p15853	journal	January 1990
Pyroxenes: comparisons of real and ideal structural topologies* Papike, J. J.; Prewitt, C. T.; Sueno, S. Zeitschrift für Kristallographie, Vol. 138, Issue 138 https://doi.org/10.1524/zkri.1973.138.138.254	journal	August 1973
Re-investigation of the crystal structure of enstatite under high-pressure conditions Periotto, B.; Balic-Zunic, T.; Nestola, F. American Mineralogist, Vol. 97, Issue 10 https://doi.org/10.2138/am.2012.4157	journal	September 2012
β ‐diopside, a new ultrahigh‐pressure polymorph of CaMgSi ₂ O ₆ with six‐coordinated silicon Plonka, Anna M.; Dera, Przemyslaw; Irmen, Peyton Geophysical Research Letters, Vol. 39, Issue 24 https://doi.org/10.1029/2012GL054023	journal	December 2012
Combined method for ab initio structure solution from powder diffraction data Putz, H.; Schön, J. C.; Jansen, M. Journal of Applied Crystallography, Vol. 32, Issue 5 https://doi.org/10.1107/S0021889899006615	journal	October 1999
Phase Transformations and Differentiation in Subducted Lithosphere: Implications for Mantle Dynamics, Basalt Petrogenesis, and Crustal Evolution Ringwood, A. E. The Journal of Geology, Vol. 90, Issue 6 https://doi.org/10.1086/628721	journal	November 1982
Enthalpy of formation of CaSi 2 O 5, a quenched high-pressure phase with pentacoordinate silicon Schoenitz, M.; Navrotsky, A.; Ross, N. Physics and Chemistry of Minerals, Vol. 28, Issue 1 https://doi.org/10.1007/s002690000131	journal	February 2001
High-pressure phase transitions in tetrahedrally coordinated chain structures Serghiou, G. Journal of Raman Spectroscopy, Vol. 34, Issue 7-8 https://doi.org/10.1002/jrs.1010	journal	January 2003
A short history of SHELX Sheldrick, George M. Acta Crystallographica Section A Foundations of Crystallography, Vol. 64, Issue 1, p. 112-122 https://doi.org/10.1107/S0108767307043930	journal	December 2007
Low orthopyroxene from a lunar deep crustal rock: A new Pyroxene polymorph of space group P21ca Smyth, Joseph R. Geophysical Research Letters, Vol. 1, Issue 1 https://doi.org/10.1029/GL001i001p00027	journal	May 1974
NMR evidence for five-coordinated silicon in a silicate glass at atmospheric pressure Stebbins, Jonathan F. Nature, Vol. 351, Issue 6328 https://doi.org/10.1038/351638a0	journal	June 1991
Pentacoordinate silicon in high-pressure crystalline and glassy phases of calcium disilicate (CaSi ₂ O ₅ ) Stebbins, J. F.; Poe, B. T. Geophysical Research Letters, Vol. 26, Issue 16 https://doi.org/10.1029/1999GL008364	journal	August 1999
Isothermal equation of state for gold with a He-pressure medium Takemura, K.; Dewaele, A. Physical Review B, Vol. 78, Issue 10 https://doi.org/10.1103/PhysRevB.78.104119	journal	September 2008
Mixing properties of the enstatite-ferrosilite solid solution: I. A macroscopic perspective [Mixing properties of the enstatite-ferrosilite solid solution: I. A macroscopic perspective] Tarantino, Serena C.; Domeneghetti, M. Chiara; Carpenter, Michael A. European Journal of Mineralogy, Vol. 14, Issue 3 https://doi.org/10.1127/0935-1221/2002/0014-0525	journal	June 2002
Stagnation of subducting slabs in the transition zone due to slow diffusion in majoritic garnet van Mierlo, W. L.; Langenhorst, F.; Frost, D. J. Nature Geoscience, Vol. 6, Issue 5 https://doi.org/10.1038/ngeo1772	journal	March 2013
Change from sixfold to fivefold coordination of silicate polyhedra: Insights from first-principles calculations of ${CaSi}_{2} O_{5}$ Warren, M. C.; Redfern, S. A. T.; Angel, R. Physical Review B, Vol. 59, Issue 14 https://doi.org/10.1103/PhysRevB.59.9149	journal	April 1999
Spectroscopic Evidence for Pressure-Induced Coordination Changes in Silicate Glasses and Melts Williams, Q.; Jeanloz, R. Science, Vol. 239, Issue 4842 https://doi.org/10.1126/science.239.4842.902	journal	February 1988
The orthorhombic to high- P monoclinic phase transition in Mg-Fe Pyroxenes: Can it produce a seismic discontinuity? Woodland, Alan B. Geophysical Research Letters, Vol. 25, Issue 8 https://doi.org/10.1029/98GL00857	journal	April 1998
A new pyroxene structure at high pressure; single-crystal X-ray and Raman study of the Pbcn-P2 ₁ cn phase transition in protopyroxene Yang, Hexiong; Finger, Larry W.; Conrad, Pamela G. American Mineralogist, Vol. 84, Issue 3 https://doi.org/10.2138/am-1999-0305	journal	March 1999
Pressure impact on the structure, elasticity, and electron density distribution of CaSi $_{2}$ O $_{5}$ Yu, Yonggang G.; Angel, Ross J.; Ross, Nancy L. Physical Review B, Vol. 87, Issue 18 https://doi.org/10.1103/PhysRevB.87.184112	journal	May 2013
Local structure variations observed in orthoenstatite at high pressures Zhang, D.; Jackson, J. M.; Sturhahn, W. American Mineralogist, Vol. 96, Issue 10 https://doi.org/10.2138/am.2011.3721	journal	September 2011
A new high-pressure phase transition in natural Fe-bearing orthoenstatite Zhang, J. S.; Dera, P.; Bass, J. D. American Mineralogist, Vol. 97, Issue 7 https://doi.org/10.2138/am.2012.4072	journal	June 2012
Elasticity and lattice dynamics of enstatite at high pressure: ELASTICITY AND LATTICE DYNAMICS OF EN87 Zhang, Dongzhou; Jackson, Jennifer M.; Chen, Bin Journal of Geophysical Research: Solid Earth, Vol. 118, Issue 8 https://doi.org/10.1002/jgrb.50303	journal	August 2013
Pressure-induced Pbca-P21/c phase transition of natural orthoenstatite: Compositional effect and its geophysical implications Zhang, J. S.; Reynard, B.; Montagnac, G. American Mineralogist, Vol. 98, Issue 5-6 https://doi.org/10.2138/am.2013.4345	journal	May 2013
Pressure-induced Pbca–P21/c phase transition of natural orthoenstatite: The effect of high temperature and its geophysical implications Zhang, Jin S.; Reynard, Bruno; Montagnac, Gilles Physics of the Earth and Planetary Interiors, Vol. 228 https://doi.org/10.1016/j.pepi.2013.09.008	journal	March 2014

Cited By (12)

Metastable silica high pressure polymorphs as structural proxies of deep Earth Silicate Melts Bykova, Elena; Bykov, Maxim; Cernok, Ana Deutsches Elektronen-Synchrotron, DESY, Hamburg https://doi.org/10.3204/pubdb-2018-03920	text	January 2018
Compressional Behavior of Hydrous Orthoenstatite: Insight into the Nature of LVZ under Continental Plate Hua, Florian Tian-Siang; Dera, Przemyslaw; Kung, Jennifer Minerals, Vol. 10, Issue 1 https://doi.org/10.3390/min10010071	journal	January 2020
High‐Pressure γ ‐CaMgSi ₂ O ₆ : Does Penta‐Coordinated Silicon Exist in the Earth's Mantle? Hu, Yi; Kiefer, Boris; Bina, Craig R. Geophysical Research Letters, Vol. 44, Issue 22 https://doi.org/10.1002/2017gl075424	journal	November 2017
Phase Transitions in Orthoenstatite and Subduction Zone Dynamics: Effects of Water and Transition Metal Ions Xu, Jingui; Zhang, Dongzhou; Fan, Dawei Journal of Geophysical Research: Solid Earth, Vol. 123, Issue 4 https://doi.org/10.1002/2017jb015169	journal	April 2018
An Experimental Investigation of the Relative Strength of the Silica Polymorphs Quartz, Coesite, and Stishovite Hunt, Simon A.; Whitaker, Matthew L.; Bailey, Edward Geochemistry, Geophysics, Geosystems, Vol. 20, Issue 4 https://doi.org/10.1029/2018gc007842	journal	April 2019
High pressure phase transitions of paracelsian BaAl2Si2O8 Gorelova, Liudmila A.; Pakhomova, Anna S.; Krivovichev, Sergey V. Scientific Reports, Vol. 9, Issue 1 https://doi.org/10.1038/s41598-019-49112-1	journal	September 2019
Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO ₄ (OH) Gorelova, Liudmila A.; Pakhomova, Anna S.; Aprilis, Georgios Inorganic Chemistry Frontiers, Vol. 5, Issue 7 https://doi.org/10.1039/c8qi00257f	journal	January 2018
A New High-Pressure Phase Transition in Natural Gedrite Yong, Tommy; Bina, Craig R.; Finkelstein, Gregory J. Crystals, Vol. 9, Issue 10 https://doi.org/10.3390/cryst9100521	journal	October 2019
High pressure phase transitions of paracelsian $BaAl_{2}Si_{2}O_{8}$ Gorelova, Liudmila A.; Pakhomova, Anna S.; Krivovichev, Sergey V. Deutsches Elektronen-Synchrotron, DESY, Hamburg https://doi.org/10.3204/pubdb-2019-05451	text	January 2019
Metastable silica high pressure polymorphs as structural proxies of deep Earth silicate melts Bykova, E.; Bykov, M.; Černok, A. Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-07265-z	journal	November 2018
High-pressure single-crystal X-ray diffraction and synchrotron Mössbauer study of monoclinic ferrosilite Solomatova, Natalia V.; Alieva, Ayya; Finkelstein, Gregory J. Comptes Rendus Geoscience, Vol. 351, Issue 2-3 https://doi.org/10.1016/j.crte.2018.06.012	journal	February 2019
High Pressure Single Crystal Diffraction at PX^2 Zhang, Dongzhou; Dera, Przemyslaw K.; Eng, Peter J. Journal of Visualized Experiments, Issue 119 https://doi.org/10.3791/54660	journal	January 2017

Similar Records

Pressure-induced velocity softening in natural orthopyroxene at mantle temperature

Journal Article · Thu Aug 01 00:00:00 EDT 2019 · American Mineralogist · OSTI ID:1338326

Wang, Siheng; Chen, Ting; Cai, Nao; +4 more

Phase Transition of Enstatite‐Ferrosilite Solid Solutions at High Pressure and High Temperature: Constraints on Metastable Orthopyroxene in Cold Subduction

Journal Article · Sat Jun 13 00:00:00 EDT 2020 · Geophysical Research Letters · OSTI ID:1338326

Xu, Jingui; Fan, Dawei; Zhang, Dongzhou; +3 more

Pressure-induced velocity softening in natural orthopyroxene at mantle temperature

Journal Article · Thu Aug 01 00:00:00 EDT 2019 · American Mineralogist · OSTI ID:1338326

Wang, Siheng; Chen, Ting; Cai, Nao; +4 more

Related Subjects

36 MATERIALS SCIENCE
Orthopyroxene
Phase transition
Crystallography
High pressure
Single-crystal X-ray diffraction

Title: Phase transitions in orthopyroxene (En90) to 49GPa from single-crystal X-ray diffraction

Citation Formats

References (54)

Cited By (12)

Similar Records

Related Subjects

Title: Phase transitions in orthopyroxene (En₉₀) to 49GPa from single-crystal X-ray diffraction