Materials Data on TbNi by Materials Project

Dataset · Tue Jun 04 04:00:00 EDT 2019

DOI:https://doi.org/10.17188/1205453· OSTI ID:1205453

TbNi crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are six inequivalent Tb sites. In the first Tb site, Tb is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Tb–Ni bond distances ranging from 2.89–2.91 Å. In the second Tb site, Tb is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Tb–Ni bond distances ranging from 2.86–2.94 Å. In the third Tb site, Tb is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Tb–Ni bond distances ranging from 2.87–2.95 Å. In the fourth Tb site, Tb is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Tb–Ni bond distances ranging from 2.84–2.96 Å. In the fifth Tb site, Tb is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Tb–Ni bond distances ranging from 2.86–2.95 Å. In the sixth Tb site, Tb is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Tb–Ni bond distances ranging from 2.84–2.95 Å. There are six inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to seven Tb and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.56 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to seven Tb and two equivalent Ni atoms. In the third Ni site, Ni is bonded in a 9-coordinate geometry to seven Tb and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.56 Å. In the fourth Ni site, Ni is bonded in a 9-coordinate geometry to seven Tb and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.56 Å. In the fifth Ni site, Ni is bonded in a 9-coordinate geometry to seven Tb and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.57 Å. In the sixth Ni site, Ni is bonded in a 9-coordinate geometry to seven Tb and two equivalent Ni 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: 1205453
• Report Number(s): mp-31139
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ni-Tb
TbNi
crystal structure