Supporting data for the article: The crystal structure of dypingite: Understanding the long-range disorder

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Sednev-Lugovets, Anton; Lu, Yang; Vistad, Ørnulv; Carvalho, Patricia; Missyul, Alexander; Austrheim, Håkon; Friis, Henrik; Guzik, Matylda, 2025, "Supporting data for the article: The crystal structure of dypingite: Understanding the long-range disorder", https://doi.org/10.18710/PABU7Q, DataverseNO, V1

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Description	The Crystal Structure of Dehydrated Dypingite Dataset comprises comprehensive experimental data supporting the first structural characterization of dehydrated dypingite (Mg5(CO3)4.5(2)(OH)0.96(3)·5.0(2)H2O), a hydrated magnesium carbonate hydroxide mineral that remained structurally unknown for over five decades due to aggregated morphology and structural disorder. The dataset provides systematic experimental evidence demonstrating that ambient humidity significantly influences dypingite's structural properties: high humidity (80% RH) causes inhomogeneous unit cell expansion along the c-axis with long-range lattice disorder, while low humidity (20% RH) yields reduced disorder and shorter lattice parameters, with samples differing by one water molecule of hydration. The dataset includes: 1) synchrotron powder X-ray diffraction patterns of hydrated and dehydrated dypingite samples (both synthetic and mineral); 2) time-resolved dehydration data; 3) results of thermogravimetric analysis of hydrated and dehydrated synthetic dypingite; 4) refined crystal structure of dehydrated dypingite. By making these data publicly available, we hope to spark researchers’ interest in dypingite, paving the way for broader utilization of this eco-friendly material in everyday life. (2025-09-05)
Subject	Chemistry; Earth and Environmental Sciences; Physics
Keyword	crystal structure, synchrotron measurements, structural disorder, Thermogravimetry, dypingite, hydromagnesite, long-range disorder, nanoflower, desert rose, new 2D material, structural disorder, uniaxial elongation, magnesium hydroxy- carbonates
Related Publication	A. Sednev-Lugovets, Y. Lu, Ø. Vistad, P.A. Carvalho, A. Missyul, H. Austrheim, H. Friis and M.N. Guzik (2025). J. Appl. Cryst. 58. doi: https://doi.org/10.1107/S1600576725007915
License/Data Use Agreement	CC0 1.0

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	ReadMe.txt Plain Text - 15.6 KB Published Sep 22, 2025 0 Downloads MD5: 18e733a632f06586bd03aefd88cb2fd0	Preview "ReadMe.txt" Access File File Access Public Download Options Plain Text Download Metadata Data File Citation EndNote XML RIS BibTeX
	Dehydrated dypingite.cif Crystallographic_information_files/Refined_structure_of_dehydrated_dypingite/chemical/x-cif - 252.0 KB Published Sep 22, 2025 0 Downloads MD5: e355b07402c7fa2e156dece7ad3bbf4c	Access File File Access Public Download Options chemical/x-cif Download Metadata Data File Citation EndNote XML RIS BibTeX
	Dehydrated dypingite.txt Crystallographic_information_files/Refined_structure_of_dehydrated_dypingite/Plain Text - 252.0 KB Published Sep 22, 2025 0 Downloads MD5: e355b07402c7fa2e156dece7ad3bbf4c	Preview "Crystallographic_information_files/Refined_structure_of_dehydrated_dypingite/Dehydrated dypingite.txt" Access File File Access Public Download Options Plain Text Download Metadata Data File Citation EndNote XML RIS BibTeX
	Trial_structure.cif Crystallographic_information_files/Trial_structure/chemical/x-cif - 8.7 KB Published Sep 22, 2025 0 Downloads MD5: 17759135ff384a20246d204abfaf7f39	Access File File Access Public Download Options chemical/x-cif Download Metadata Data File Citation EndNote XML RIS BibTeX
	Trial_structure.txt Crystallographic_information_files/Trial_structure/Plain Text - 8.7 KB Published Sep 22, 2025 0 Downloads MD5: 17759135ff384a20246d204abfaf7f39	Preview "Crystallographic_information_files/Trial_structure/Trial_structure.txt" Access File File Access Public Download Options Plain Text Download Metadata Data File Citation EndNote XML RIS BibTeX
	Mineral_dypingite_ReadMe.txt SR_PDX_data/Mineral_dypingite/Plain Text - 612 B Published Sep 22, 2025 0 Downloads MD5: f97c678ab9d41d314931611a9d161263	Preview "SR_PDX_data/Mineral_dypingite/Mineral_dypingite_ReadMe.txt" Access File File Access Public Download Options Plain Text Download Metadata Data File Citation EndNote XML RIS BibTeX
	Hydrated_mineral_dypingite.dat SR_PDX_data/Mineral_dypingite/Hydrated_mineral_dypingite/Fixed Field Text Data - 646.5 KB Published Sep 22, 2025 0 Downloads MD5: a2799c82ddc9d5637e77fedad5e9d9be	Access File File Access Public Download Options Fixed Field Text Data Download Metadata Data File Citation EndNote XML RIS BibTeX
	Si_13keV_f00003.dat SR_PDX_data/Mineral_dypingite/Si_standard_SRM640e/Fixed Field Text Data - 503.8 KB Published Sep 22, 2025 0 Downloads MD5: 6f4bcd150aa995229ff858ee090fbec3	Access File File Access Public Download Options Fixed Field Text Data Download Metadata Data File Citation EndNote XML RIS BibTeX
	Synthetic_dypingite_ReadMe.txt SR_PDX_data/Synthetic_dypingite/Plain Text - 2.4 KB Published Sep 22, 2025 0 Downloads MD5: 1d38236e9d4c63bfaf839729e50a9ff0	Preview "SR_PDX_data/Synthetic_dypingite/Synthetic_dypingite_ReadMe.txt" Access File File Access Public Download Options Plain Text Download Metadata Data File Citation EndNote XML RIS BibTeX
	Day_to_day_hydration_of_dypingite_0d.dat SR_PDX_data/Synthetic_dypingite/Day_to_day_hydration_of_dypingite/Fixed Field Text Data - 186.0 KB Published Sep 22, 2025 0 Downloads MD5: 9aafed779ae346723a93402864f45165	Access File File Access Public Download Options Fixed Field Text Data Download Metadata Data File Citation EndNote XML RIS BibTeX

Citation Metadata

Persistent Identifier	doi:10.18710/PABU7Q
Publication Date	2025-09-22
Title	Supporting data for the article: The crystal structure of dypingite: Understanding the long-range disorder
Alternative Title	Crystal Structure of Dehydrated Dypingite Dataset
Author	Sednev-Lugovets, Anton (University of Oslo) - ORCID: 0000-0003-3316-7766 Lu, Yang (University of Oslo) Vistad, Ørnulv (Sintef industry, Oslo, Norway) - ORCID: https://orcid.org/0000-0002-8331-6558 Carvalho, Patricia (Sintef industry, Oslo, Norway) - ORCID: https://orcid.org/0000-0002-5447-0409 Missyul, Alexander (Sincrotrón ALBA: Barcelona, Spain) - ORCID: https://orcid.org/0000-0002-0577-4481 Austrheim, Håkon (University of Oslo) - ORCID: https://orcid.org/0000-0002-8521-4547 Friis, Henrik (University of Oslo) - ORCID: https://orcid.org/0000-0001-5700-8730 Guzik, Matylda (University of Oslo) - ORCID: https://orcid.org/0000-0001-6349-4659
Point of Contact	Use email button above to contact. Anton Sednev-Lugovets (University of Oslo) Matylda Guzik (University of Oslo)
Description	The Crystal Structure of Dehydrated Dypingite Dataset comprises comprehensive experimental data supporting the first structural characterization of dehydrated dypingite (Mg5(CO3)4.5(2)(OH)0.96(3)·5.0(2)H2O), a hydrated magnesium carbonate hydroxide mineral that remained structurally unknown for over five decades due to aggregated morphology and structural disorder. The dataset provides systematic experimental evidence demonstrating that ambient humidity significantly influences dypingite's structural properties: high humidity (80% RH) causes inhomogeneous unit cell expansion along the c-axis with long-range lattice disorder, while low humidity (20% RH) yields reduced disorder and shorter lattice parameters, with samples differing by one water molecule of hydration. The dataset includes: 1) synchrotron powder X-ray diffraction patterns of hydrated and dehydrated dypingite samples (both synthetic and mineral); 2) time-resolved dehydration data; 3) results of thermogravimetric analysis of hydrated and dehydrated synthetic dypingite; 4) refined crystal structure of dehydrated dypingite. By making these data publicly available, we hope to spark researchers’ interest in dypingite, paving the way for broader utilization of this eco-friendly material in everyday life. (2025-09-05)
Subject	Chemistry; Earth and Environmental Sciences; Physics
Keyword	crystal structure synchrotron measurements structural disorder Thermogravimetry dypingite hydromagnesite long-range disorder nanoflower desert rose new 2D material structural disorder uniaxial elongation magnesium hydroxy- carbonates
Related Publication	A. Sednev-Lugovets, Y. Lu, Ø. Vistad, P.A. Carvalho, A. Missyul, H. Austrheim, H. Friis and M.N. Guzik (2025). J. Appl. Cryst. 58. doi: https://doi.org/10.1107/S1600576725007915
Language	English
Producer	University of Oslo (UiO) https://www.uio.no/english/
Production Date	2024-05-05
Production Location	Oslo, Norway
Contributor	Data Collector : Anton Sednev-Lugovets
Funding Information	The Research Counsil of Norway: Prosjektnummer: 315534
Distributor	University of Oslo (UiO) https://dataverse.no/dataverse/uio
Depositor	Sednev-Lugovets, Anton
Deposit Date	2025-09-04
Date of Collection	Start Date: 2022-11-11 ; End Date: 2024-06-11
Data Type	X-ray diffraction data; crystallographic information data; Thermogravimetry data
Series	NATSORB: This dataset is the part of the dataset series collected during the NATSORB project. The present dataset contains the data that were used for the structure solution of dehydrated dypingite. The dataset includes: SR-PDX patterns of hydrated and dehydrated dypingite, both mineral and synthetic SR-PDX patterns of dehydrated synthetic dypingite, exposed to the low humidity atmosphere (20%rh, 22C) in a desiccator TG-DSC data of hydrated and dehydrated synthetic dypingite A refined crystal structure .cif file of dehydrated dypingite A prototype trial structure .cif file
Software	Topas, Version: v6 GSASII, Version: 5790

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