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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PrNdSb by Materials Project

NdPrSb crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd is bonded in a distorted square co-planar geometry to four equivalent Sb atoms. All Nd–Sb bond lengths are 3.36 Å. Pr is bonded to five equivalent Sb atoms to form a mixture of distorted edge and corner-sharing PrSb5 trigonal bipyramids. There are one shorter (3.27 Å) and four longer (3.34 Å) Pr–Sb bond lengths. Sb is bonded in a 9-coordinate geometry to four equivalent Nd and five equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2Nd2Sb3 by Materials Project

Pr2Nd2Sb3 crystallizes in the cubic I2_13 space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to six equivalent Sb atoms. There are three shorter (3.18 Å) and three longer (3.44 Å) Nd–Sb bond lengths. Pr is bonded in a 6-coordinate geometry to six equivalent Sb atoms. There are three shorter (3.18 Å) and three longer (3.45 Å) Pr–Sb bond lengths. Sb is bonded to four equivalent Nd and four equivalent Pr atoms to form a mixture of distorted corner, edge, and face-sharing SbPr4Nd4 hexagonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrNdSb2 by Materials Project

NdPrSb2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd3+ is bonded to six equivalent Sb3- atoms to form NdSb6 octahedra that share corners with six equivalent PrSb6 octahedra, edges with six equivalent NdSb6 octahedra, and edges with six equivalent PrSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–Sb bond lengths are 3.21 Å. Pr3+ is bonded to six equivalent Sb3- atoms to form PrSb6 octahedra that share corners with six equivalent NdSb6 octahedra, edges with six equivalent NdSb6 octahedra, and edges with six equivalent PrSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pr–Sb bond lengths are 3.23 Å. Sb3- is bonded to three equivalent Nd3+ and three equivalent Pr3+ atoms to form a mixture of edge and corner-sharing SbPr3Nd3 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrNdSb4 by Materials Project

NdPrSb4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine Sb+1.50- atoms. There are a spread of Nd–Sb bond distances ranging from 3.22–3.49 Å. Pr3+ is bonded in a 9-coordinate geometry to nine Sb+1.50- atoms. There are a spread of Pr–Sb bond distances ranging from 3.23–3.48 Å. There are three inequivalent Sb+1.50- sites. In the first Sb+1.50- site, Sb+1.50- is bonded in a 8-coordinate geometry to two equivalent Nd3+, two equivalent Pr3+, and four equivalent Sb+1.50- atoms. There are a spread of Sb–Sb bond distances ranging from 3.09–3.18 Å. In the second Sb+1.50- site, Sb+1.50- is bonded in a 6-coordinate geometry to five equivalent Pr3+ and one Sb+1.50- atom. The Sb–Sb bond length is 2.85 Å. In the third Sb+1.50- site, Sb+1.50- is bonded in a 6-coordinate geometry to five equivalent Nd3+ and one Sb+1.50- atom. The Sb–Sb bond length is 2.86 Å.

36 MATERIALS SCIENCE↗