Author

Nik Reeves-McLaren

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Open access Aug 2026

The Structure of Spinels: A Quantitative Assessment of the AB2X4 Family

Compounds with the general formula AB2X4 crystallize with the atomic structure of the mineral spinel, MgAl2O4, described by three degrees of freedom: lattice parameter a, anion parameter u, and cation inversion parameter λ. Here, bond valence sum validation of 1244 ambient structures (338 compositions, 1915–2025) from...

Nik Reeves-McLaren · Journal of The American Cera... · 0 citations

Open access Oct 2026

A century of structures: historical fidelity and computational fitness in the Inorganic Crystal Structure Database (ICSD).

This work assesses 464 ICSD structures from 1913 to 1929 using two independent tools: Eir v1.4.2 (bond valence sums, global instability index) and MaplePy (Madelung part of lattice energy).

Peter Gross, Nik Reeves-McLaren · Acta Crystallographica. Sect... · 0 citations