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

2026-08-06T13:58:04Zhttp://doidb.wdc-terra.org/oaip/oai

oai:doidb.wdc-terra.org:78722026-06-10T10:26:07ZDOIDBDOIDB.GFZ

false4DOIDB.GFZ 10.5880/GFZ.3.5.2024.001 Volkmann, Rebecca Rebecca Volkmann 0009-0000-7533-1101 GFZ German Research Centre for Geosciences, Potsdam, Germany Muenchhalfen, Marie Marie Muenchhalfen 0000-0002-5785-4264 Ruhr-University Bochum, Bochum, Germany Benning, Liane G. Liane G. Benning 0000-0001-9972-5578 GFZ German Research Centre for Geosciences, Potsdam, Germany Crystallographic Information File (CIF) of the magnesium phosphate mineral struvite collected by single-crystal X-Ray diffraction GFZ Data Services 2024 Struvite Crystal structure Mineral Phosphate EARTH SCIENCE > SOLID EARTH > ROCKS/MINERALS/CRYSTALS > SEDIMENTARY ROCKS > SEDIMENTARY ROCK PHYSICAL/OPTICAL PROPERTIES Volkmann, Rebecca Rebecca Volkmann 0009-0000-7533-1101 GFZ German Research Centre for Geosciences, Potsdam, Germany Muenchhalfen, Marie Marie Muenchhalfen 0000-0002-5785-4264 Ruhr-University Bochum, Bochum, Germany Benning, Liane G. Liane G. Benning 0000-0001-9972-5578 GFZ German Research Centre for Geosciences, Potsdam, Germany Volkmann, Rebecca GFZ German Research Centre for Geosciences, Potsdam, Germany 2024-01-14 Dataset 10.31223/X5KQ4F 10.1107/97809553602060000728 CC BY 4.0 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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