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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Pr(MnSn)6 by Materials Project

Pr(MnSn)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to eight Sn atoms to form distorted edge-sharing PrSn8 hexagonal bipyramids. There are a spread of Pr–Sn bond distances ranging from 3.08–3.23 Å. In the second Pr site, Pr is bonded to eight Sn atoms to form distorted edge-sharing PrSn8 hexagonal bipyramids. There are a spread of Pr–Sn bond distances ranging from 3.07–3.21 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are four shorter (2.79 Å) and two longer (2.87 Å) Mn–Sn bond lengths. In the second Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.77–2.87 Å. In the third Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.87 Å. In the fourth Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.77–2.87 Å. There are nine inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three Pr and six Mn atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six Mn atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to three Pr and six Mn atoms. In the fourth Sn site, Sn is bonded in a 6-coordinate geometry to six Mn atoms. In the fifth Sn site, Sn is bonded in a 8-coordinate geometry to two equivalent Pr and six Mn atoms. In the sixth Sn site, Sn is bonded in a 7-coordinate geometry to one Pr and six Mn atoms. In the seventh Sn site, Sn is bonded in a 8-coordinate geometry to one Pr, six Mn, and one Sn atom. The Sn–Sn bond length is 3.02 Å. In the eighth Sn site, Sn is bonded in a 8-coordinate geometry to one Pr, six Mn, and one Sn atom. The Sn–Pr bond length is 3.07 Å. All Sn–Mn bond lengths are 2.87 Å. The Sn–Sn bond length is 3.02 Å. In the ninth Sn site, Sn is bonded in a 8-coordinate geometry to one Pr, six Mn, and one Sn atom. The Sn–Sn bond length is 3.01 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3(MnSn)4 by Materials Project

Pr3(MnSn)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to six Sn atoms to form edge-sharing PrSn6 octahedra. There are four shorter (3.23 Å) and two longer (3.29 Å) Pr–Sn bond lengths. In the second Pr site, Pr is bonded in a 12-coordinate geometry to six equivalent Mn and six Sn atoms. There are two shorter (3.35 Å) and four longer (3.36 Å) Pr–Mn bond lengths. There are two shorter (3.33 Å) and four longer (3.37 Å) Pr–Sn bond lengths. Mn is bonded in a 4-coordinate geometry to three equivalent Pr and four Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.76–2.89 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three Pr and six equivalent Mn atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Pr, two equivalent Mn, and one Sn atom. The Sn–Sn bond length is 2.96 Å.

36 MATERIALS SCIENCE↗