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DOE OSTI · 1758279

Materials Data on Cs2NaGaP2 by Materials Project

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Abstract

Cs2NaGaP2 is alpha Pu-derived structured and crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to five equivalent P3- atoms. There are a spread of Cs–P bond distances ranging from 3.47–4.04 Å. Na1+ is bonded in a 4-coordinate geometry to four equivalent P3- atoms. All Na–P bond lengths are 2.95 Å. Ga3+ is bonded to four equivalent P3- atoms to form edge-sharing GaP4 tetrahedra. All Ga–P bond lengths are 2.49 Å. P3- is bonded in a 4-coordinate geometry to five equivalent Cs1+, two equivalent Na1+, and two equivalent Ga3+ atoms.

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36 MATERIALS SCIENCEcrystal structureCs-Ga-Na-PCs2NaGaP2

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2020-09-03. Materials Data on Cs2NaGaP2 by Materials Project. https://doi.org/10.17188/1758279

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