# Structural Characterization of Tunnel-Structured MgCO                    <sub>3</sub>                    ·H                    <sub>2</sub>                    O and β-MgCO                    <sub>3</sub>                    : Two-Step Topotactic Dehydration of Nesquehonite Using High Pressure

https://mdr.nims.go.jp/datasets/4f6c6615-14ba-47d0-b73d-34286d741b83

## File

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## Id

4f6c6615-14ba-47d0-b73d-34286d741b83

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2026-05-11T06:31:47.906784Z

## Updated at

2026-05-11T07:22:11.306395Z

## Published at

2026-05-11T09:28:10.905082Z

## Doi



## First published url

https://doi.org/10.1021/acs.cgd.5c01676

## Date published

2026-05-06

## Recorded date published

2026-5-6

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: |-
    Structural Characterization of Tunnel-Structured MgCO
                        <sub>3</sub>
                        ·H
                        <sub>2</sub>
                        O and β-MgCO
                        <sub>3</sub>
                        : Two-Step Topotactic Dehydration of Nesquehonite Using High Pressure
  title_type: original
  lang: en

## Description

- description: '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. '
  description_type: abstract
  lang: und

## Creator

- name: Ryo Yamane
  role: author
  orcid: https://orcid.org/0000-0001-9953-5280
  organization: National Institute for Materials Science
- name: Shigeru Suehara
  role: author
  orcid: https://orcid.org/0000-0001-7423-2830
  organization: National Institute for Materials Science
- name: Yoshiki Kiyota
  role: author
- name: Sadaki Samitsu
  role: author
  orcid: https://orcid.org/0000-0002-4139-1656
  organization: National Institute for Materials Science
- name: Hiroshi Sakuma
  role: author
  orcid: https://orcid.org/0000-0002-6522-0704
  organization: National Institute for Materials Science

## Contact agent



## Publisher

organization: American Chemical Society (ACS)

## Managing organization



## Keyword

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

## Rights

- identifier: https://creativecommons.org/licenses/by/4.0/
  date_licensed: 2026-04-15

## Other identifier(s)



## Data origin



## Embargo



## Journal

- title: Crystal Growth & Design
  issn: '15287505'
  volume: '26'
  issue: '9'
  start_page: 3341
  end_page: 3351

## Conference



## Related item



## Funding

- identifier: JP22K14750
  funder_name: Japan Society for the Promotion of Science

## Instrument



## Instrument operator



## Instrument managing organization



## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



## Structural feature for specimen



## Specific property for specimen



## Process for specimen treatment



## Computational method



## Energy level/transition state



## Software



## Custom property



## Fileset

- id: c4183a33-963a-4a2b-9e3a-fd3a5f2afb09
  filename: structural-characterization-of-tunnel-structured-mgco3-h2o-and-β-mgco3-two-step-topotactic-dehydration-of-nesquehonite
    (1).pdf
  content_type: application/pdf
  size: 7715360
  md5: 795e4f752365cd144ccccc8a27462be0

## Thumbnail

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  (1).pdf