ISIS Neutron and Muon Source Data Journal

Crystal structures and thermal expansion of the high pressure phases of ammonium bicarbonate, (ND4)DCO3

Abstract: In an earlier high-pressure survey of the P,T phase diagram of deuterated ammonium bicarbonate, we observed changes in the neutron powder diffraction patterns that are consistent with a number of polymorphic phase changes. However, data suitable for unambiguous indexing of the powder patterns was not collected and there is a large degree of uncertainty as to whether some of the datasets truly reflect different phases or simply highly anisotropic peaks shifts. Our goal is to cryogenically recover the two high pressure phases (phases II and III) observed at room temperature using the multi-anvil press SAPHiR at the FRM II, Germany, and collect the highest-resolution neutron powder patterns using HRPD, such that we may index new phases with confidence, solve their structures, and observe their behaviour upon warming.

Public release date: 26 April 2028

Principal Investigator: Dr Christopher Howard
Experimenter: Dr Dominic Fortes
Experimenter: Dr Nicolas Walte
Local Contact: Dr Ronald Smith

DOI: 10.5286/ISIS.E.RB2220463-2

Parent DOI: 10.5286/ISIS.E.RB2220463

ISIS Experiment Number: RB2220463

Part Number: 2

Date of Experiment: 27 March 2025

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Dr Christopher Howard et al; (2025): Crystal structures and thermal expansion of the high pressure phases of ammonium bicarbonate, (ND4)DCO3, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2220463-2

Data is released under the CC-BY-4.0 license.