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The crystal structures of Mg2Fe2C4O13, with tetrahedrally coordinated carbon, and Fe13O19, synthesized at deep mantle conditions
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Marco Merlini
,
Michael Hanfland
Published/Copyright:
August 12, 2015
Abstract
We simulated the redox decomposition of magnesium-siderite at pressures and temperatures corresponding to the top of the Earth’s D″ layer (135 GPa and 2650 K). It transforms into new phases, with unexpected stoichiometry. We report their crystal structure, based on single-crystal synchrotron radiation diffraction on a multi-grain sample, using a charge-flipping algorithm. Mg2Fe2(C4O13) is monoclinic, a = 9.822(3), b = 3.9023(13), c = 13.154(5) Å, β = 108.02(3)°, V = 479.4(3) Å3 (at 135 GPa). It contains tetrahedrally coordinated carbon units, corner-shared in truncated C4O13 chains. Half of the cations are divalent, and half trivalent. The carbonate coexists with a new iron oxide, Fe13O19, monoclinic, a = 19.233(2), b = 2.5820(13), c = 9.550(11) Å, β = 118.39(3)°, V = 417.2(5) Å3 (at 135 GPa). It has a stoichiometry between hematite, Fe2O3, and magnetite, Fe3O4. The formation of these unquenchable phases indicates, indirectly, the formation of reduced-carbon species, possibly diamond. These structures suggest the ideas that the mineralogy of the lower mantle and D″ region may be more complex than previously estimated. This is especially significant concerning accessory phases of fundamental geochemical significance and their role in ultra-deep iron-carbon redox coupling processes, as well as the iron-oxygen system, which certainly play an important role in the lower mantle mineral phase equilibria.
Received: 2015-4-2
Accepted: 2015-5-6
Published Online: 2015-8-12
Published in Print: 2015-8-1
© 2015 by Walter de Gruyter Berlin/Boston
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Keywords for this article
Carbonate;
tetrahedrally coordinated carbon;
iron oxide;
high pressure;
single-crystal
Articles in the same Issue
- Data, ideas, and the nature of scientific progress
- Beyond the equilibrium paradigm: How consideration of kinetics enhances metamorphic interpretation
- Magmatic volatiles (H, C, N, F, S, Cl) in the lunar mantle, crust, and regolith: Abundances, distributions, processes, and reservoirs
- The mafic component of the lunar crust: Constraints on the crustal abundance of mantle and intrusive rock, and the mineralogy of lunar anorthosites
- Degassing pathways of Cl-, F-, H-, and S-bearing magmas near the lunar surface: Implications for the composition and Cl isotopic values of lunar apatite
- Uranium scavenging during mineral replacement reactions
- New structure of high-pressure body-centered orthorhombic Fe2SiO4
- Spectroscopic study of ordering in non-stoichiometric magnesium aluminate spinel
- High-pressure behavior of cuprospinel CuFe2O4: Influence of the Jahn-Teller effect on the spinel structure
- Field and model constraints on silicic melt segregation by compaction/hindered settling: The role of water and its effect on latent heat release
- Formation of rhyolite at the Okataina Volcanic Complex, New Zealand: New insights from analysis of quartz clusters in plutonic lithics
- Experimental investigation of F, Cl, and OH partitioning between apatite and Fe-rich basaltic melt at 1.0–1.2 GPa and 950–1000 °C
- Synthesis, characterization, and thermodynamics of arsenates forming in the Ca-Fe(III)-As(V)-NO3 system: Implications for the stability of Ca-Fe arsenates
- High-pressure phases of cordierite from single-crystal X-ray diffraction to 15 GPa
- Planar microstructures in zircon from paleo-seismic zones
- Ultra-deep subduction of Yematan eclogite in the North Qaidam UHP belt, NW China: Evidence from phengite exsolution in omphacite
- Elastic wave velocity anomalies of anorthite in a subducting plate: In situ experiments
- Current limitations of molecular dynamic simulations as probes of thermo-physical behavior of silicate melts
- Three-component mixed-layer illite/smectite/kaolinite (I/S/K) minerals in hydromorphic soils, south China
- Melting curve of NaCl to 20 GPa from electrical measurements of capacitive current
- Grain size measurement from two-dimensional micro-X-ray diffraction: Laboratory application of a radial integration technique
- Decrease of hydrogen incorporation in forsterite from CO2-H2O-rich kimberlitic liquid
- Provenance determination of sapphires and rubies using laser-induced breakdown spectroscopy and multivariate analysis
- Structural insights and elasticity of single-crystal antigorite from high-pressure Raman and Brillouin spectroscopy measured in the (010) plane
- Magnetic anisotropy in natural amphibole crystals
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- Chemical interactions between a sedimentary diapir and surrounding magma: Evidence from the Phepane Dome and Bushveld Complex, South Africa
- The crystal structures of Mg2Fe2C4O13, with tetrahedrally coordinated carbon, and Fe13O19, synthesized at deep mantle conditions
- New Mineral Names
- Book Review: Geodynamics, Third edition.
