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DOE OSTI · 1712377

Materials Data on Pm2Se3 by Materials Project

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Abstract

Pm2Se3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three 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 2.94–3.29 Å. In the second Pm3+ site, Pm3+ is bonded to eight Se2- atoms to form a mixture of distorted corner, edge, and face-sharing PmSe8 hexagonal bipyramids. There are a spread of Pm–Se bond distances ranging from 2.97–3.16 Å. In the third Pm3+ site, Pm3+ is bonded to eight Se2- atoms to form a mixture of distorted corner, edge, and face-sharing PmSe8 hexagonal bipyramids. There are a spread of Pm–Se bond distances ranging from 2.98–3.23 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to six Pm3+ atoms. In the second Se2- site, Se2- is bonded to five Pm3+ atoms to form a mixture of distorted corner, edge, and face-sharing SePm5 square pyramids. In the third Se2- site, Se2- is bonded to five Pm3+ atoms to form a mixture of distorted corner, edge, and face-sharing SePm5 square pyramids.

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36 MATERIALS SCIENCEcrystal structurePm-SePm2Se3

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2020-04-30. Materials Data on Pm2Se3 by Materials Project. https://doi.org/10.17188/1712377

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