Crystal Structures of Novel Magnesium Carbonate Phases MHMC and β-MgCO3

1.6 KB of Crystallographic Information Files (CIF) detail the atomic structures of two synthesized magnesium carbonate phases. The data includes lattice parameters, space groups, and calculated densities for monohydrated magnesium carbonate (MHMC) and the β-MgCO3 polymorph. The dataset was authored by Ryo Yamane and last updated on April 15, 2026.

Use Cases

• Validate theoretical crystal structure predictions based on the experimentally derived lattice parameters.
• Study phase transitions in magnesium carbonates based on the described two-step topotactic dehydration process.
• Calculate material properties like bulk modulus using the provided structural data for MHMC and β-MgCO3.
• Compare tunnel-structured frameworks in synthesized minerals based on the described MgCO3 rod polymerization.

Strengths

• Includes precise lattice parameters (e.g., a=5.8102(6) Å for MHMC) and space groups for both phases.
• Provides calculated densities (2.350 g/cm³ for MHMC, 2.383 g/cm³ for β-MgCO3) and bulk moduli (57.1(1) GPa and 20.0(2) GPa).
• Data is associated with a specific, peer-reviewed scientific synthesis and characterization methodology.

Limitations

• Dataset is extremely small (1.6 KB), containing only structural data without experimental raw data or sample metadata.
• Row count and column-level documentation are absent; data semantics must be inferred from the CIF format.
• The scope is limited to the structural characterization of two specific synthesized compounds.

Provenance

Source

figshare, authored by Ryo Yamane.

Collection Method

Synthesized from nesquehonite at 500 MPa and 100 °C, with structures characterized via microelectron diffraction and powder X-ray diffraction Rietveld refinement.

Freshness

Last updated 2026-04-15 21:03:29