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Shifts from the brucite-type (A\u03b3B)\u25a1(A\u03b3B)\u25a1 stacking pattern to the CdCl<jats:sub>2<\/jats:sub>-type (A\u03b3B)\u25a1(C\u03b2A)\u25a1(B\u03b1C)\u25a1 and the CrOOH-type (B\u03b3A)\u25a1(A\u03b2C)\u25a1(C\u03b1B)\u25a1 stacking order, as well as random intercalation of water molecules and carbonate ions, were found to be the main features of the microstructures. A recursive routine for generating and averaging supercells of stacking-faulted layered substances implemented in the<jats:italic>TOPAS<\/jats:italic>software was used to calculate diffraction patterns of the LDH phases as a function of the degree of faulting and to refine them against the measured diffraction data. The microstructures of the precursor materials were described by a model containing three parameters: transition probabilities for generating CdCl<jats:sub>2<\/jats:sub>-type and CrOOH-type faults and a transition probability for the random intercalation of water\/carbonate layers. Automated series of simulations and refinements were performed, in which the transition probabilities were modified incrementally and thus the microstructures optimized by a grid search. All samples were found to exhibit the same fraction of CdCl<jats:sub>2<\/jats:sub>-type and CrOOH-type stacking faults, which indicates that they have identical Ni, Co and Al contents. Different degrees of interstratification faulting were determined, which could be correlated to different heights of intercalation-water-related mass-loss steps in the thermal analyses.<\/jats:p>","DOI":"10.1107\/s1600576719016212","type":"journal-article","created":{"date-parts":[[2019,12,18]],"date-time":"2019-12-18T11:48:47Z","timestamp":1576669727000},"page":"76-87","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":22,"title":["A routine for the determination of the microstructure of stacking-faulted nickel cobalt aluminium hydroxide precursors for lithium nickel cobalt aluminium oxide battery materials"],"prefix":"10.1107","volume":"53","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-3575-0517","authenticated-orcid":true,"given":"Sebastian","family":"Bette","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Bernd","family":"Hinrichsen","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Daniela","family":"Pfister","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2778-2113","authenticated-orcid":true,"given":"Robert, E.","family":"Dinnebier","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"329","published-online":{"date-parts":[[2020,2,1]]},"reference":[{"key":"po5156_bb1","doi-asserted-by":"crossref","first-page":"3184","DOI":"10.1021\/acs.chemmater.6b00924","volume":"28","author":"Ainsworth","year":"2016","journal-title":"Chem. 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