skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on NaTcO3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1315521· OSTI ID:1315521

NaTcO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent O2- atoms to form NaO12 cuboctahedra that share corners with twelve equivalent NaO12 cuboctahedra, faces with six equivalent NaO12 cuboctahedra, and faces with eight equivalent TcO6 octahedra. All Na–O bond lengths are 2.74 Å. Tc5+ is bonded to six equivalent O2- atoms to form TcO6 octahedra that share corners with six equivalent TcO6 octahedra and faces with eight equivalent NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tc–O bond lengths are 1.94 Å. O2- is bonded in a distorted linear geometry to four equivalent Na1+ and two equivalent Tc5+ 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:
1315521
Report Number(s):
mp-977176
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on Na3Ca7Ti7Nb3O30 by Materials Project
Dataset · Tue Jul 14 00:00:00 EDT 2020 · OSTI ID:1315521

Materials Data on KTcO3 by Materials Project
Dataset · Thu Jul 23 00:00:00 EDT 2020 · OSTI ID:1315521

Materials Data on LiTcO3 by Materials Project
Dataset · Sun May 03 00:00:00 EDT 2020 · OSTI ID:1315521