Materials Data on HoNiSn2 by Materials Project

Dataset · Wed Apr 29 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1749678· OSTI ID:1749678

HoNiSn2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 8-coordinate geometry to six Ni and eight Sn atoms. There are a spread of Ho–Ni bond distances ranging from 3.27–3.50 Å. There are a spread of Ho–Sn bond distances ranging from 3.11–3.19 Å. In the second Ho site, Ho is bonded in a 11-coordinate geometry to two equivalent Ni and nine Sn atoms. Both Ho–Ni bond lengths are 3.05 Å. There are a spread of Ho–Sn bond distances ranging from 3.14–3.51 Å. In the third Ho site, Ho is bonded in a 1-coordinate geometry to four Ni and nine Sn atoms. There are two shorter (3.14 Å) and two longer (3.22 Å) Ho–Ni bond lengths. There are a spread of Ho–Sn bond distances ranging from 3.13–3.58 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to five Ho and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.55–2.75 Å. In the second Ni site, Ni is bonded in a 7-coordinate geometry to three Ho and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.49–2.79 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to four Ho and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.54–2.69 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four Ho, three equivalent Ni, and one Sn atom. The Sn–Sn bond length is 3.01 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Ho and three Ni atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to four Ho and two Ni atoms. In the fourth Sn site, Sn is bonded in a 7-coordinate geometry to four Ho and three Ni atoms. In the fifth Sn site, Sn is bonded in a 8-coordinate geometry to four Ho, three Ni, and one Sn atom. In the sixth Sn site, Sn is bonded in a 2-coordinate geometry to four Ho and one Ni atom.

• 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: 1749678
• Report Number(s): mp-1199966
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ho-Ni-Sn
HoNiSn2
crystal structure