Materials Data on Eu2Sb3 by Materials Project

Dataset · Thu Apr 30 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1744556· OSTI ID:1744556

Eu2Sb3 is Magnesium tetraboride-like structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are five inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are a spread of Eu–Sb bond distances ranging from 3.30–3.66 Å. In the second Eu3+ site, Eu3+ is bonded in a 7-coordinate geometry to nine Sb2- atoms. There are a spread of Eu–Sb bond distances ranging from 3.28–3.97 Å. In the third Eu3+ site, Eu3+ is bonded in a 8-coordinate geometry to ten Sb2- atoms. There are a spread of Eu–Sb bond distances ranging from 3.29–3.97 Å. In the fourth Eu3+ site, Eu3+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are a spread of Eu–Sb bond distances ranging from 3.29–3.45 Å. In the fifth Eu3+ site, Eu3+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are a spread of Eu–Sb bond distances ranging from 3.27–3.51 Å. There are six inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 4-coordinate geometry to five Eu3+ and three Sb2- atoms. There are a spread of Sb–Sb bond distances ranging from 2.98–3.31 Å. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to five Eu3+ and three Sb2- atoms. There are one shorter (2.95 Å) and one longer (3.32 Å) Sb–Sb bond lengths. In the third Sb2- site, Sb2- is bonded in a 7-coordinate geometry to six Eu3+ and three Sb2- atoms. There are one shorter (3.08 Å) and one longer (3.48 Å) Sb–Sb bond lengths. In the fourth Sb2- site, Sb2- is bonded in a 6-coordinate geometry to six Eu3+ and two Sb2- atoms. The Sb–Sb bond length is 3.10 Å. In the fifth Sb2- site, Sb2- is bonded in a 6-coordinate geometry to six Eu3+ and two Sb2- atoms. In the sixth Sb2- site, Sb2- is bonded in a 4-coordinate geometry to six Eu3+ and three Sb2- atoms. The Sb–Sb bond length is 3.01 Å.

• 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: 1744556
• Report Number(s): mp-1213665
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Eu-Sb
Eu2Sb3
crystal structure