Materials Data on TaSiAs by Materials Project

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

DOI:https://doi.org/10.17188/1208582· OSTI ID:1208582

The Materials Project

TaSiAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ta5+ is bonded in a 9-coordinate geometry to four equivalent Si4- and five equivalent As1- atoms. All Ta–Si bond lengths are 2.67 Å. There are four shorter (2.70 Å) and one longer (2.85 Å) Ta–As bond lengths. Si4- is bonded in a 8-coordinate geometry to four equivalent Ta5+ and four equivalent Si4- atoms. All Si–Si bond lengths are 2.49 Å. As1- 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: 1208582
• Report Number(s): mp-5031
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
TaSiAs
As-Si-Ta