Article Structural Characterization of Tunnel-Structured MgCO 3 ·H 2 O and β-MgCO 3 : Two-Step Topotactic Dehydration of Nesquehonite Using High Pressure

Ryo Yamane ORCID (National Institute for Materials Science) ; Shigeru Suehara SAMURAI ORCID (National Institute for Materials Science) ; Yoshiki Kiyota ; Sadaki Samitsu SAMURAI ORCID (National Institute for Materials Science) ; Hiroshi Sakuma SAMURAI ORCID (National Institute for Materials Science)

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Ryo Yamane, Shigeru Suehara, Yoshiki Kiyota, Sadaki Samitsu, Hiroshi Sakuma. Structural Characterization of Tunnel-Structured MgCO 3 ·H 2 O and β-MgCO 3 : Two-Step Topotactic Dehydration of Nesquehonite Using High Pressure. Crystal Growth & Design. 2026, 26 (9), 3341-3351. https://doi.org/10.1021/acs.cgd.5c01676

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(abstract)

This study achieved the structural characterization of two novel phases: mono-hydrated magnesium carbonate (MHMC; MgCO3･H2O) and a dehydrated phase of MHMC, a previously unknown crystalline polymorph of MgCO3 (β-MgCO3). MHMC was synthesized from nesquehonite (Nq; MgCO3･3H2O) at 500 MPa and 100 ℃, while β-MgCO3 was synthesized by dehydrating MHMC. Due to the fine rod-shaped MHMC and β-MgCO3 crystals, microelectron diffraction was used to characterize the MHMC structure (a = 5.8102(6) Å, b = 5.3759(3) Å, c = 9.259(1) Å, space group: P212121, calculated density: 2.351 cm3/g). The MgCO3 rod modules of Nq were polymerized in the MHMC structure, accompanied by dehydration, and MHMC had a tunnel-type MgCO3 framework structure. The structure of β-MgCO3 was theoretically predicted based on the dehydrated MHMC structure and verified by the Rietveld refinement of the powder X-ray diffraction of β-MgCO3 (a = 5.1730(4) Å, b = 5.1597(5) Å, c = 8.8066(5) Å, space group: P212121, calculated density: 2.383 cm3/g). The calculated bulk moduli of MHMC and β-MgCO3 were 57.1(1) and 20.0(2) GPa, respectively.

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Keyword: 炭酸マグネシウム, 電子線回折, 結晶構造解析, 高圧力, ネスケホナイト

Date published: 2026-05-06

Publisher: American Chemical Society (ACS)

Journal:

  • Crystal Growth & Design (ISSN: 15287505) vol. 26 issue. 9 p. 3341-3351

Funding:

  • Japan Society for the Promotion of Science JP22K14750

Manuscript type: Publisher's version (Version of record)

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First published URL: https://doi.org/10.1021/acs.cgd.5c01676

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Updated at: 2026-05-11 16:22:11 +0900

Published on MDR: 2026-05-11 18:28:10 +0900

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