Materials Data on ThTeO by Materials Project

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

DOI:https://doi.org/10.17188/1207322· OSTI ID:1207322

The Materials Project

ThTeO is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Th4+ is bonded in a 4-coordinate geometry to five equivalent Te2- and four equivalent O2- atoms. There are four shorter (3.30 Å) and one longer (3.60 Å) Th–Te bond lengths. All Th–O bond lengths are 2.44 Å. Te2- is bonded in a 9-coordinate geometry to five equivalent Th4+, four equivalent Te2-, and four equivalent O2- atoms. All Te–Te bond lengths are 3.59 Å. All Te–O bond lengths are 3.49 Å. O2- is bonded to four equivalent Th4+ and four equivalent Te2- atoms to form a mixture of edge and face-sharing OTh4Te4 tetrahedra.

• 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: 1207322
• Report Number(s): mp-3718
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
ThTeO
O-Te-Th