Materials Data on TaSb2 by Materials Project

Dataset · Thu Jul 16 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1188289· OSTI ID:1188289

The Materials Project

TaSb2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ta5+ is bonded in a 8-coordinate geometry to eight Sb+2.50- atoms. There are a spread of Ta–Sb bond distances ranging from 2.87–3.01 Å. There are two inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 3-coordinate geometry to three equivalent Ta5+ and three equivalent Sb+2.50- atoms. There are one shorter (2.82 Å) and two longer (3.07 Å) Sb–Sb bond lengths. In the second Sb+2.50- site, Sb+2.50- is bonded in a 5-coordinate geometry to five equivalent Ta5+ atoms.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1188289
• Report Number(s): mp-11697
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
TaSb2
Sb-Ta