1.
2.
3.
4.
5.
6.
7.
8.
9.
10.
11.
12.
13.
14.
15.
First-principles calculations. The first-principles calculations based on the density
functional theory (DFT) on poirierite and the known Mg2SiO4 polymorphs were
performed using the Quantum Espresso code52. The crystal structure of poirierite at
0 K was optimised using the Perdew–Burke–Ernzerhof (PBE) exchange-correlation
density functional and norm-conserving pesudopotentials53 with an energy cutoff
of 120.0 Ry with 12 × 20 × 8 k-point grids where space group is Pmma. The
parameters (lattice parameters and atomic positions) of the poirierite structure
16.
17.
Ito, E. & Katsura, T. A temperature profile of the mantle transition zone.
Geophys. Res. Lett. 16, 425–428 (1989).
Pearson, D. G. et al. Hydrous mantle transition zone indicated by ringwoodite
included within diamond. Nature 507, 221–224 (2014).
Tomioka, N. & Miyahara, M. High-pressure minerals in shocked meteorites.
Meteorit. Planet. Sci. 52, 2017–2039 (2017).
Binns, R. A., Davis, R. J. & Reed, S. J. B. Ringwoodite, natural (Mg,
Fe)2SiO4 spinel in the Tenham meteorite. Nature 221, 943–944 (1969).
Price, G. D., Putnis, A., Agrell, S. O. & Smith, D. G. W. Wadsleyite, natural β(Mg,Fe)2SiO4 from the Peace River meteorite. Canad. Mineral. 21, 29–53 (1983).
Ma, C. et al. Ahrensite, γ-Fe2SiO4, a new shock-metamorphic mineral from
the Tissint meteorite: Implications for the Tissint shock event on Mars.
Geochim. Cosmochim. Acta 184, 240–256 (2016).
Bindi, L. et al. Discovery of asimowite, the Fe-analog of wadsleyite, in shockmelted silicate droplets of the Suizhou L6 and the Quebrada Chimborazo 001
CB3.0 chondrites. Amer. Mineral. 104, 775–778 (2019).
Xie, Z. & Sharp, T. G. Host rock solid-state transformation in a shock-induced
melt vein of Tenham L6 chondrite. Earth Planet. Sci. Lett. 254, 433–445 (2007).
Miyahara, M. et al. Evidence for fractional crystallization of wadsleyite and
ringwoodite from olivine melts in chondrules entrained in shock-melt veins.
Proc. Natl. Acad. Sci. USA 105, 8542–8547 (2008).
Feng, L., Lin, Y., Hu, S., Xu, L. & Miao, B. Estimating compositions of natural
ringwoodite in the heavily shocked Grove Mountains 052049 meteorite from
Raman spectra. Amer. Mineral. 96, 1480–1489 (2011).
Xie, Z., Li, X., Sharp, T. G. & De Carli, P. S. Shock-induced ringwoodite rims
around olivine fragments in melt vein of Antarctic chondrite GRV022321:
transformation mechanism. In 43rd Lunar and Planetary Science Conf.
https://www.lpi.usra.edu/meetings/lpsc2012/pdf/2776.pdf (2012).
Pittarello, L. et al. From olivine to ringwoodite: a TEM study of a complex
process. Meteorit. Planet. Sci. 50, 944–957 (2015).
Xie, Z., Sharp, T. G. & De Carli, P. Estimating shock pressures based on highpressure minerals in shock-induced melt veins of L chondrites. Meteorit.
Planet. Sci. 41, 1883–1898 (2006).
Ohtani, E. et al. Formation of high-pressure minerals in shocked L6 chondrite
Yamato 791384: constraints on shock conditions and parent body size. Earth
Planet. Sci. Lett. 227, 505–515 (2004).
Miyahara, M. et al. Coherent and subsequent incoherent ringwoodite growth in
olivine of shocked L6 chondrites. Earth Planet. Sci. Lett. 295, 321–327 (2010).
Madon, M. & Poirier, J. P. Dislocations in spinel and garnet high-pressure
polymorphs of olivine and pyroxene: implications for mantle rheology. Science
207, 66–68 (1980).
Madon, M. & Poirier, J. P. Transmission electron microscope observation of α,
β and γ (Mg, Fe)2SiO4 in shocked meteorites: planar defects and polymorphic
transitions. Phys. Earth Planet. Inter. 33, 31–44 (1983).
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18. Price, G. D. The nature and significance of stacking faults in wadsleyite,
natural □-(Mg,Fe)2SiO4 from the Peace River meteorite. Phys. Earth Planet.
Inter. 33, 137–147 (1983).
19. Tomioka, N. & Okuchi, T. A new high-pressure form of Mg2SiO4 highlighting
diffusionless phase transitions of olivine. Sci. Rep. 7, 17351 (2017).
20. Langenhorst, F., Joreau, P. & Doukhan, J. C. Thermal and shock
metamorphism of the Tenham chondrite: a TEM examination. Geochim.
Cosmochim. Acta 59, 1835–1845 (1995).
21. Xie, Z., Sharp, T. G. & DeCarli, P. S. High-pressure phases in a shock-induced
melt vein of the Tenham L6 chondrite: Constraints on shock pressure and
duration. Geochim. Cosmochim. Acta 70, 504–515 (2006).
22. Hyde, B. G., White, T. J., O’Keeffe, M. & Johnson, A. W. S. Structures related
to those of spinel and the β-phase, and a possible mechanism for the
transformation olivine ↔ spinel. Z. Kristallogr. 160, 53–62 (1982).
23. Robinson, K., Gibbs, G. V. & Ribbe, P. H. Quadratic elongation: a
quantitative measure of distortion in coordination polyhedra. Science 172,
567–570 (1971).
24. Burnley, P. C. The fate of olivine in subductings labs: a reconnaissance study.
Amer. Mineral. 80, 1293–1301 (1995).
25. Price, G. D., Putnis, A. & Smith, D. G. W. A spinel to β-phase transformation
mechanism in (Mg,Fe)2SiO4. Nature 296, 729–731 (1982).
26. Brearley, A. J., Rubie, D. C. & Ito, E. Mechanisms of the transformations
between the α, β, γ polymorphs of Mg2SiO4 at 15 GPa. Phys. Chem. Miner. 18,
343–358 (1992).
27. Boland, J. N. & Liu, L. G. Olivine to spinel transformation in Mg2SiO4 via
faulted structures. Nature 303, 233–235 (1983).
28. Burnley, P. C. & Green II, H. W. Stress dependence of the mechanism of the
olivine–spinel transformation. Nature 338, 753–756 (1989).
29. Kerschhofer, L., Sharp, T. G. & Rubie, D. C. Intracrystalline transformation of
olivine to wadsleyite and ringwoodite under subduction zone conditions.
Science 274, 79–81 (1996).
30. Kerschhofer, L. et al. Polymorphic transformations between olivine, wadsleyite
and ringwoodite: mechanisms of intracrystalline nucleation and the role of
elastic strain. Mineral. Mag. 62, 617–638 (1998).
31. Poirier, J. P. Martensitic olivine-spinel transformation and plasticity of the
mantle transition zone. In Anelasticity in the Earth, Vol. 4 (eds Stacey, F. D.,
Paterson, M. S. & Nicholas, A.) 113–117 (American Geophysical Union,
Washington, D. C., 1981).
32. Tomioka, N., Miyahara, M. & Ito, M. Discovery of natural MgSiO3 tetragonal
garnet in a shocked chondritic meteorite. Sci. Adv. 2, e1501725 (2016).
33. Fujino, K., Sasaki, S., Takeuchi, Y. & Sadanaga, R. X-ray determination of
electron distributions in forsterite, fayalite and tephroite. Acta Crystallogr.
B37, 513–518 (1981).
34. Finger, L. W., Hazen, R. M., Zhang, J., Ko, J. & Navrotsky, A. The effect of Fe
on the crystal structure of wadsleyite β-(Mg1-xFex)2SiO4, 0.00 < x < 0.40. Phys.
Chem. Miner. 19, 361–368 (1993).
35. Sasaki, S., Prewitt, C. T., Sato, Y. & Ito, E. Single-crystal X ray study of γ
Mg2SiO4. J. Geophys. Res. 87, 7829–7832 (1982).
36. Yagi, T., Marumo, F. & Akimoto, S. Crystal structures of spinel polymorphs of
Fe2SiO4 and Ni2SiO4. Amer. Mineral. 59, 486–490 (1974).
37. Okuchi, T. et al. Linking occurrence and texture of dense silicate minerals in
shocked meteorites with laser-shock experimental results of Mg2SiO4 analyzed
by XFEL probe. In Japan Geosecience Union Meeting 2019. https://confit.atlas.jp/
guide/event-img/jpgu2019/PCG22-04/public/pdf?type=in (2019).
38. Ma, C., Tschauner, O., Bindi, L., Beckett, J. R. & Xie, X. A vacancy-rich,
partially inverted spinelloid silicate, (Mg,Fe,Si)2(Si,□)O4, as a major matrix
phase in shock melt veins of the Tenham and Suizhou L6 chondrites. Meteorit.
Planet. Sci. 54, 1907–1918 (2019).
39. Ma, C., Tschauner, O. & Beckett, J. R. Discovery of a new high-pressure
silicate phase, (Fe,Mg,Cr,Ti,Ca,□)2(Si,Al)O4 with a tetragonal spinelloid
structure, in a shock melt pocket from the Tissint Martian meteorite. In 50th
Lunar and Planetary Science Conf. https://www.hou.usra.edu/meetings/
lpsc2019/pdf/1460.pdf (2019).
40. Katsura, T. & Ito, E. The system Mg2SiO4-Fe2SiO4 at high pressures and
temperatures: precise determination of stabilities of olivine, modified spinel,
and spinel. J. Geophys. Res. 94, 15663–15670 (1989).
41. Putnis, A. & Price, G. High-pressure (Mg,Fe)2SiO4 phases in the Tenham
chondritic meteorite. Nature 280, 217–218 (1979).
42. Tomioka, N. & Fujino, K. Natural (Mg,Fe)SiO3-ilmenite and -perovskite in the
Tenham meteorite. Science 277, 1084–1086 (1997).
43. Tomioka, N., Mori, H. & Fujino, K. Shock-induced transition of NaAlSi3O8
feldspar into a hollandite structure in a L6 chondrite. Geophys. Res. Lett. 27,
3997–4000 (2000).
44. Tomioka, N. & Kimura, M. The breakdown of diopside to Ca-rich majorite
and glass in a shocked H chondrite. Earth Planet. Sci. Lett. 208, 271–278
(2003).
45. Chen, M., Shu, J. & Mao, H.-K. Xieite, a new mineral of high-pressure
FeCr2O4 polymorph. Chin. Sci. Bull. 53, 3341–3345 (2008).
46. Xie, X., Sun, Z. & Chen, M. The distinct morphological and petrological
features of shock melt veins in the Suizhou L6 chondrite. Meteorit. Planet. Sci
46, 459–469 (2011).
47. Bindi, L., Chen, M. & Xie, X. Discovery of the Fe-analogue of akimotoite in the
shocked Suizhou L6 chondrite. Sci. Rep. 7, 42674 (2017).
48. Bindi, L., Shim, S.-H., Sharp, T. G. & Xie, X. Evidence for the charge
disproportionation of iron in extraterrestrial bridgmanite. Sci. Adv. 6,
eaay7893 (2020).
49. Sheldrick, G. M. A short history of SHELX. Acta Crystallogr A64, 112–122 (2008).
50. Hazen, R. M., Downs, R. T., Finger, L. W. & Ko, J. Crystal chemistry of
ferromagnesian silicate spinels: evidence for Mg-Si disorder. Amer. Mineral.
78, 1320–1323 (1993).
51. Ibers, J. A. & Hamilton, W. C. International Tables for X-ray Crystallography.
Vol. 4 (Kynoch Press, 1974).
52. Giannozzi, P. et al. QUANTUM ESPRESSO: a modular and open-source
software project for quantum simulations of materials. J. Phys.: Condens.
Matter. 21, 395502 (2009).
53. Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation
made simple. Phys. Rev. Lett. 77, 3865–3868 (1996).
54. Horiuchi, H. & Sawamoto, H. β-Mg2SiO4: Single-crystal X-ray diffraction
study. Amer. Mineral. 66, 568–575 (1981).
Acknowledgements
The authors are grateful to Y. Seto and K. Fujino for the discussion on the transformation
mechanisms between olivine polymorphs, and to R. Miyawaki for his helpful suggestions on
the new mineral proposal of poirierite to the International Mineralogical Association. The
authors also thank the Head Office for Information Systems and Cybersecurity, RIKEN, for a
generous grant of computing time on the Hokusai BigWaterfall Cluster. This work was
supported by a Grant-in-Aid for Scientific Research by the Ministry of Education, Culture,
Sports, Science and Technology (MEXT) (No. 15H03750 to N.T. and 17H01172 to T.O.)
and the Strategic Fund for Strengthening Leading-Edge Research and Development provided
by the Japan Society for the Promotion of Science (to JAMSTEC). This research was also
supported by MEXT as part of the “Exploratory Challenge on Post-K computer” (Challenge
of Basic Science – Exploring Extremes through Multi-Physics and Multi-Scale Simulations).
Author contributions
N.T. organised the research project. N.T., M.M., L.B., X.X., R.T., and Y.K. conducted SEM
observations, and N.T., R.T., and Y.K. prepared ultrathin foil specimens via FIB. N.T., and
M.M. conducted the TEM observations. N.T., T.O., and N.P. conducted electron diffraction
analysis and crystal structure modelling. L.B. conducted single crystal X-ray diffraction
analysis and crystal structure refinements. T.I., Z.L., and T.K., conducted the first-principles
calculations. N.T. wrote the paper and all the authors discussed the results and commented
on the paper.
Competing interests
The authors declare that they have no competing interests.
Additional information
Supplementary information is available for this paper at https://doi.org/10.1038/s43247020-00090-7.
Correspondence and requests for materials should be addressed to N.T.
Peer review information: Primary handling editor: Joe Aslin.
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