Materials Data on Tb9Ni24Sn49 by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1741591· OSTI ID:1741591

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.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1741591
• Report Number(s): mp-1217867
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ni-Sn-Tb
Tb9Ni24Sn49
crystal structure