High-pressure synthesis and crystal structure of iron sp³-carbonate (Fe₂[C₄O₁₀]) featuring pyramidal [C₄O₁₀]^4- anions.

ABSTRACT: The behavior of iron carbonates at high pressures is relevant for geological processes occurring in Earth interiors. Here, cubic iron sp³-carbonate Fe₂[C₄O₁₀] was synthesized in diamond anvil cell by reacting Fe₂O₃ and CO₂ at 65(4) GPa and 3000(±500) K, simulating the environment of localized thermal anomalies in the mantle. The crystal structure, determined by in situ single-crystal X-ray diffraction, features pyramidal [C₄O₁₀]^4- anions. The experimental crystal structure corresponds to a structural model from density functional theory calculations. Experimentally determined values for zero-pressure volume V₀ and bulk modulus K₀ are: V₀ = 1059(17)

SUBMITTER: Kovalev V 

PROVIDER: S-EPMC11883023 | biostudies-literature | 2025 Mar

REPOSITORIES: biostudies-literature