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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)
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
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Originally assigned keywords
Corresponding MSL vocabulary keywords
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Source publisher
GFZ Data Services
DOI
10.5880/gfz.3.5.2024.001
Authors
Volkmann, Rebecca
0009-0000-7533-1101
GFZ German Research Centre for Geosciences, Potsdam, Germany;
Muenchhalfen, Marie
0000-0002-5785-4264
Ruhr-University Bochum, Bochum, Germany;
Benning, Liane G.
0000-0001-9972-5578
GFZ German Research Centre for Geosciences, Potsdam, Germany;
Contributers
Volkmann, Rebecca
DataCollector
0009-0000-7533-1101
GFZ German Research Centre for Geosciences, Potsdam, Germany;
Muenchhalfen, Marie
DataCollector
0000-0002-5785-4264
Ruhr-University Bochum, Bochum, Germany;
Benning, Liane G.
Supervisor
0000-0001-9972-5578
GFZ German Research Centre for Geosciences, Potsdam, Germany;
Volkmann, Rebecca
ContactPerson
GFZ German Research Centre for Geosciences, Potsdam, Germany;
References
Volkmann, R., Münchhalfen, M., & Benning, L. (2024). A new structure determination of the magnesium phosphate mineral struvite (MgNH4PO4· 6H2O) at 100 K. https://doi.org/10.31223/x5kq4f
10.31223/X5KQ4F
IsSupplementTo
Hall, S. R., Westbrook, J. D., Spadaccini, N., Brown, I. D., Bernstein, H. J., & McMahon, B. (2006). Specification of the Crystallographic Information File (CIF). International Tables for Crystallography, 20–36. https://doi.org/10.1107/97809553602060000728
10.1107/97809553602060000728
Cites
Contact
Volkmann, Rebecca
GFZ German Research Centre for Geosciences, Potsdam, Germany;
Citiation
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