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DOE OSTI · 1203028

Materials Data on Pr2NCl3 by Materials Project

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Abstract

Pr2NCl3 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Pr3+ is bonded in a 2-coordinate geometry to two equivalent N3- and four Cl1- atoms. Both Pr–N bond lengths are 2.35 Å. There are a spread of Pr–Cl bond distances ranging from 2.86–3.01 Å. N3- is bonded to four equivalent Pr3+ atoms to form distorted edge-sharing NPr4 tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 150 degrees geometry to two equivalent Pr3+ atoms. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four equivalent Pr3+ atoms.

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36 MATERIALS SCIENCECl-N-Prcrystal structurePr2NCl3

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2020-07-17. Materials Data on Pr2NCl3 by Materials Project. https://doi.org/10.17188/1203028

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