Materials Data on Pm2Se3 by Materials Project
Pm2Se3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pm3+ sites. In the first Pm3+ site, Pm3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pm–Se bond distances ranging from 3.04–3.52 Å. In the second Pm3+ site, Pm3+ is bonded to seven Se2- atoms to form a mixture of distorted corner and edge-sharing PmSe7 pentagonal bipyramids. There are a spread of Pm–Se bond distances ranging from 2.96–3.03 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Pm3+ atoms to form a mixture of distorted corner and edge-sharing SePm5 square pyramids. In the second Se2- site, Se2- is bonded to five Pm3+ atoms to form a mixture of distorted corner and edge-sharing SePm5 trigonal bipyramids. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to five Pm3+ atoms.