Locating hydrogen positions in the autunite mineral metatorbernite [Cu(UO2)2(PO4)2·8H2O]: a combined approach using neutron powder diffraction and computational modelling

MacIver-Jones, F.M.; Sutcliffe, P.; Graham, M.C.; Morrison, C.A.; Kirk, C.A.

doi:10.1107/S205225252100837X

Figure 6
Structure-overlay diagram of the final optimized geometry from AIRSS (shown in light blue) onto the structural model obtained via structural refinement of NPD data (shown in dark teal).

IUCrJ

Volume 8| Part 6| November 2021| Pages 963-972

ISSN: 2052-2525

https://doi.org/10.1107/S205225252100837X

NEUTRON | SYNCHROTRON

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