Materials Data on Ce2MgS4 by Materials Project

MgCe2S4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Mg2+ is bonded in a 4-coordinate geometry to eight equivalent S2- atoms. There are four shorter (2.62 Å) and four longer (3.22 Å) Mg–S bond lengths. Ce3+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are a spread of Ce–S bond distances ranging from 2.77–3.14 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Mg2+ and four equivalent Ce3+ atoms.