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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NaPr2Cl6 by Materials Project

NaPr2Cl6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na is bonded in a 6-coordinate geometry to six Cl atoms. There are four shorter (2.94 Å) and two longer (2.95 Å) Na–Cl bond lengths. Pr is bonded in a 9-coordinate geometry to nine Cl atoms. There are a spread of Pr–Cl bond distances ranging from 2.94–3.11 Å. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded to one Na and three equivalent Pr atoms to form a mixture of corner and edge-sharing ClNaPr3 tetrahedra. In the second Cl site, Cl is bonded to one Na and three equivalent Pr atoms to form a mixture of corner and edge-sharing ClNaPr3 tetrahedra. In the third Cl site, Cl is bonded to one Na and three equivalent Pr atoms to form a mixture of corner and edge-sharing ClNaPr3 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaPr2Cl6 by Materials Project

NaPr2Cl6 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Na is bonded in a 6-coordinate geometry to six equivalent Cl atoms. All Na–Cl bond lengths are 2.96 Å. Pr is bonded in a 9-coordinate geometry to nine equivalent Cl atoms. There are six shorter (2.93 Å) and three longer (3.13 Å) Pr–Cl bond lengths. Cl is bonded to one Na and three equivalent Pr atoms to form a mixture of edge and corner-sharing ClNaPr3 tetrahedra.

36 MATERIALS SCIENCE↗