Materials Data on Ta2Sn2O7 by Materials Project

Dataset · Fri Jul 17 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1207104· OSTI ID:1207104

The Materials Project

Sn2Ta2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of one Sn2O framework and one TaO3 framework. In the Sn2O framework, Sn2+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Sn–O bond lengths are 2.32 Å. O2- is bonded to four equivalent Sn2+ atoms to form corner-sharing OSn4 tetrahedra. In the TaO3 framework, Ta5+ is bonded to six equivalent O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 39°. All Ta–O bond lengths are 2.01 Å. O2- is bonded in a distorted bent 150 degrees geometry to two 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: 1207104
• Report Number(s): mp-3593
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Ta2Sn2O7
O-Sn-Ta