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DOE OSTI · 1656089

Materials Data on Pr2MgSe4 by Materials Project

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Abstract

MgPr2Se4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded in a trigonal pyramidal geometry to four Se2- atoms. There are a spread of Mg–Se bond distances ranging from 2.46–2.60 Å. There are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Pr–Se bond distances ranging from 2.92–3.28 Å. In the second Pr3+ site, Pr3+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Pr–Se bond distances ranging from 2.82–3.11 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to one Mg2+ and four Pr3+ atoms. In the second Se2- site, Se2- is bonded in a T-shaped geometry to one Mg2+ and two Pr3+ atoms. In the third Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to one Mg2+ and three Pr3+ atoms.

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36 MATERIALS SCIENCEcrystal structureMg-Pr-SePr2MgSe4

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2020-04-30. Materials Data on Pr2MgSe4 by Materials Project. https://doi.org/10.17188/1656089

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