Materials Data on Ta4O by Materials Project

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

DOI:https://doi.org/10.17188/1204199· OSTI ID:1204199

The Materials Project

Ta4O crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Ta sites. In the first Ta site, Ta is bonded in a square co-planar geometry to four equivalent O atoms. All Ta–O bond lengths are 2.30 Å. In the second Ta site, Ta is bonded in a single-bond geometry to four equivalent Ta and one O atom. All Ta–Ta bond lengths are 2.81 Å. The Ta–O bond length is 2.10 Å. In the third Ta site, Ta is bonded in a body-centered cubic geometry to eight equivalent Ta atoms. O is bonded to six Ta atoms to form a mixture of edge and corner-sharing OTa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

• 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: 1204199
• Report Number(s): mp-29727
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Ta4O
O-Ta