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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TbNiSn by Materials Project

TbNiSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to six equivalent Ni and six equivalent Sn atoms. There are a spread of Tb–Ni bond distances ranging from 3.03–3.31 Å. There are a spread of Tb–Sn bond distances ranging from 3.12–3.22 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.60–2.80 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Tb and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2Ni2Sn by Materials Project

Tb2Ni2Sn crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Tb is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Sn atoms. There are four shorter (2.95 Å) and two longer (2.98 Å) Tb–Ni bond lengths. There are two shorter (3.25 Å) and two longer (3.31 Å) Tb–Sn bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent Tb, one Ni, and two equivalent Sn atoms. The Ni–Ni bond length is 2.38 Å. Both Ni–Sn bond lengths are 2.70 Å. Sn is bonded to eight equivalent Tb and four equivalent Ni atoms to form a mixture of face and edge-sharing SnTb8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2Ni2Sn by Materials Project

Tb2Ni2Sn crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Tb is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Sn atoms. There are two shorter (2.81 Å) and four longer (2.87 Å) Tb–Ni bond lengths. All Tb–Sn bond lengths are 3.26 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Tb, one Ni, and two equivalent Sn atoms. The Ni–Ni bond length is 2.47 Å. Both Ni–Sn bond lengths are 2.90 Å. Sn is bonded to eight equivalent Tb and four equivalent Ni atoms to form a mixture of corner and face-sharing SnTb8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbNiSn4 by Materials Project

TbNiSn4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Tb is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Tb–Sn bond distances ranging from 3.22–3.47 Å. Ni is bonded in a distorted body-centered cubic geometry to eight Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.65–2.79 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Tb, two equivalent Ni, and five Sn atoms. There are one shorter (3.09 Å) and four longer (3.17 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 4-coordinate geometry to six equivalent Tb and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.01 Å. In the third Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Tb, two equivalent Ni, and four equivalent Sn atoms. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ni atoms. In the fifth Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Ni and two equivalent Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb9Ni24Sn49 by Materials Project

Tb9Ni24Sn49 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to six Ni and twelve Sn atoms. There are a spread of Tb–Ni bond distances ranging from 3.27–3.32 Å. There are a spread of Tb–Sn bond distances ranging from 3.30–3.63 Å. In the second Tb site, Tb is bonded in a 12-coordinate geometry to six Ni and twelve Sn atoms. There are a spread of Tb–Ni bond distances ranging from 3.28–3.30 Å. There are a spread of Tb–Sn bond distances ranging from 3.30–3.66 Å. In the third Tb site, Tb is bonded in a 12-coordinate geometry to six Ni and twelve Sn atoms. There are four shorter (3.28 Å) and two longer (3.30 Å) Tb–Ni bond lengths. There are a spread of Tb–Sn bond distances ranging from 3.33–3.63 Å. In the fourth Tb site, Tb is bonded in a cuboctahedral geometry to twelve Sn atoms. There are a spread of Tb–Sn bond distances ranging from 3.40–3.45 Å. There are eight inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to two Tb and six Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.53–2.68 Å. In the second Ni site, Ni is bonded in a 8-coordinate geometry to two Tb and six Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.55–2.68 Å. In the third Ni site, Ni is bonded in a 8-coordinate geometry to two Tb and six Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.54–2.71 Å. In the fourth Ni site, Ni is bonded in a 8-coordinate geometry to two Tb and six Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.53–2.69 Å. In the fifth Ni site, Ni is bonded in a 8-coordinate geometry to two equivalent Tb and six Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.53–2.71 Å. In the sixth Ni site, Ni is bonded in a 8-coordinate geometry to two equivalent Tb and six Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.53–2.68 Å. In the seventh Ni site, Ni is bonded in a 8-coordinate geometry to two equivalent Tb and six Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.53–2.67 Å. In the eighth Ni site, Ni is bonded in a 8-coordinate geometry to two equivalent Tb and six Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.53–2.69 Å. There are seventeen inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to two Tb, three Ni, and one Sn atom. The Sn–Sn bond length is 3.30 Å. In the second Sn site, Sn is bonded in a 6-coordinate geometry to three Tb and three Ni atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to three Tb and three Ni atoms. In the fourth Sn site, Sn is bonded in a 5-coordinate geometry to two Tb, three Ni, and one Sn atom. The Sn–Sn bond length is 3.30 Å. In the fifth Sn site, Sn is bonded in a 5-coordinate geometry to two equivalent Tb, three Ni, and one Sn atom. The Sn–Sn bond length is 3.27 Å. In the sixth Sn site, Sn is bonded in a 6-coordinate geometry to three Tb and three Ni atoms. In the seventh Sn site, Sn is bonded in a 5-coordinate geometry to two equivalent Tb, three Ni, and one Sn atom. The Sn–Sn bond length is 3.34 Å. In the eighth Sn site, Sn is bonded in a 6-coordinate geometry to three Tb and three Ni atoms. In the ninth Sn site, Sn is bonded in a 3-coordinate geometry to two Tb and three Ni atoms. In the tenth Sn site, Sn is bonded in a 3-coordinate geometry to two Tb and three Ni atoms. In the eleventh Sn site, Sn is bonded in a 3-coordinate geometry to two Tb and three Ni atoms. In the twelfth Sn site, Sn is bonded in a 3-coordinate geometry to two Tb and three Ni atoms. In the thirteenth Sn site, Sn is bonded in a 3-coordinate geometry to two equivalent Tb and three Ni atoms. In the fourteenth Sn site, Sn is bonded in a 3-coordinate geometry to two equivalent Tb and three Ni atoms. In the fifteenth Sn site, Sn is bonded in a 3-coordinate geometry to two equivalent Tb and three Ni atoms. In the sixteenth Sn site, Sn is bonded in a 3-coordinate geometry to two equivalent Tb and three Ni atoms. In the seventeenth Sn site, Sn is bonded in a cuboctahedral geometry to twelve Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbNiSn2 by Materials Project

TbNiSn2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 8-coordinate geometry to six Ni and eight Sn atoms. There are a spread of Tb–Ni bond distances ranging from 3.30–3.48 Å. There are a spread of Tb–Sn bond distances ranging from 3.13–3.20 Å. In the second Tb site, Tb is bonded in a 11-coordinate geometry to three Ni and nine Sn atoms. There are two shorter (3.09 Å) and one longer (3.53 Å) Tb–Ni bond lengths. There are a spread of Tb–Sn bond distances ranging from 3.16–3.52 Å. In the third Tb site, Tb is bonded in a 1-coordinate geometry to four Ni and nine Sn atoms. There are two shorter (3.16 Å) and two longer (3.26 Å) Tb–Ni bond lengths. There are a spread of Tb–Sn bond distances ranging from 3.16–3.59 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to five Tb and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.55–2.76 Å. In the second Ni site, Ni is bonded in a 7-coordinate geometry to three Tb and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.51–2.79 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to five Tb and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.53–2.68 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four Tb, three equivalent Ni, and one Sn atom. The Sn–Sn bond length is 3.03 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Tb and three Ni atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to four Tb and two Ni atoms. In the fourth Sn site, Sn is bonded in a 7-coordinate geometry to four Tb and three Ni atoms. In the fifth Sn site, Sn is bonded in a 8-coordinate geometry to four Tb, three Ni, and one Sn atom. In the sixth Sn site, Sn is bonded in a 2-coordinate geometry to four Tb and one Ni atom.

36 MATERIALS SCIENCE↗