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Metadata Files

Data Publication

Crystallographic Information File (CIF) of the magnesium phosphate mineral struvite collected by single-crystal X-Ray diffraction

Volkmann, Rebecca | Muenchhalfen, Marie | Benning, Liane G.

GFZ Data Services

(2024)

Descriptions

Crystallographic Information File (CIF) of the magnesium phosphate mineral struvite collected by single-crystal X-Ray diffraction.  The magnesium phosphate mineral struvite (MgNH4PO4·6H2O) is of interest for the recovery of phosphorus from wastewaters and for use as a fertilizer in agriculture, yet its structure is still debated. The structure of synthetic single crystals of struvite was characterized through refinement of a single-crystal X-ray diffraction pattern acquired at 100 K. The crystal structure was processed into a crystallographic information file (CIF), which is an internationally used data format used by crystallographers, mineralogists and chemists, containing all relevant information about the structure of a specific crystalline phase (Hall et al.: International Tables for Crystallography (2006). Vol. G, ch. 2.2, pp. 20-36). Detailed description and experimental outline of the structural determination is found in Volkmann et al. (2024), DOI: https://doi.org/10.31223/X5KQ4F

Keywords


Originally assigned keywords
Struvite
Crystal structure
Mineral
Phosphate
EARTH SCIENCE > SOLID EARTH > ROCKS/MINERALS/CRYSTALS > SEDIMENTARY ROCKS > SEDIMENTARY ROCK PHYSICAL/OPTICAL PROPERTIES

Corresponding MSL vocabulary keywords
minerals
phosphate

MSL enriched keywords
minerals
measured property
phosphorus
phosphate
magnesium
Technique
imaging (3D)
computed tomography (CT)
X-ray diffraction

MSL enriched sub domains i

geochemistry
microscopy and tomography

Source

https://dataservices.gfz-potsdam.de/panmetaworks/showshort.php?id=d0fff6e9-c758-11ee-967a-4ffbfe06208e

Source publisher

GFZ Data Services


DOI

10.5880/gfz.3.5.2024.001


Creators

Volkmann, Rebecca

GFZ German Research Centre for Geosciences, Potsdam, Germany

ORCID:

https://orcid.org/0009-0000-7533-1101

Muenchhalfen, Marie

Ruhr-University Bochum, Bochum, Germany

ORCID:

https://orcid.org/0000-0002-5785-4264

Benning, Liane G.

GFZ German Research Centre for Geosciences, Potsdam, Germany

ORCID:

https://orcid.org/0000-0001-9972-5578


Contributors

Volkmann, Rebecca

DataCollector

GFZ German Research Centre for Geosciences, Potsdam, Germany

ORCID:

https://orcid.org/0009-0000-7533-1101

Muenchhalfen, Marie

DataCollector

Ruhr-University Bochum, Bochum, Germany

ORCID:

https://orcid.org/0000-0002-5785-4264

Benning, Liane G.

Supervisor

GFZ German Research Centre for Geosciences, Potsdam, Germany

ORCID:

https://orcid.org/0000-0001-9972-5578

Volkmann, Rebecca

ContactPerson

GFZ German Research Centre for Geosciences, Potsdam, Germany


References

10.31223/x5kq4f

10.1107/97809553602060000728


Citation

Volkmann, R., Muenchhalfen, M., & Benning, L. G. (2024). Crystallographic Information File (CIF) of the magnesium phosphate mineral struvite collected by single-crystal X-Ray diffraction [Data set]. GFZ Data Services. https://doi.org/10.5880/GFZ.3.5.2024.001


Dates

Created:

2024-01-14

Issued:

2024


Funding References

Funder name: International Crystallography Union

Award title: Bursary

Funder name: European Crystallographic Association

Award title: Bursary

Funder name: The Cambridge Crystallographic Data Centre

Award title: Bursary


Rights

Creative Commons Attribution 4.0 International