Materials Data on PmS2 by Materials Project
PmS2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pm3+ is bonded in a 9-coordinate geometry to nine S+1.50- atoms. There are a spread of Pm–S bond distances ranging from 2.89–2.99 Å. There are two inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded in a 8-coordinate geometry to four equivalent Pm3+ and four equivalent S+1.50- atoms. All S–S bond lengths are 2.79 Å. In the second S+1.50- site, S+1.50- is bonded to five equivalent Pm3+ atoms to form a mixture of distorted edge and corner-sharing SPm5 trigonal bipyramids.
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