Materials Data on Th6CoBr15 by Materials Project

Dataset · Wed Jul 22 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1202293· OSTI ID:1202293

The Materials Project

Th6CoBr15 crystallizes in the cubic Im-3m space group. The structure is three-dimensional and consists of two Th6CoBr15 frameworks. Th is bonded to one Co and five Br atoms to form a mixture of edge and corner-sharing ThCoBr5 octahedra. The corner-sharing octahedral tilt angles are 0°. The Th–Co bond length is 2.79 Å. There are four shorter (2.93 Å) and one longer (3.09 Å) Th–Br bond lengths. Co is bonded in an octahedral geometry to six equivalent Th atoms. There are two inequivalent Br sites. In the first Br site, Br is bonded in an L-shaped geometry to two equivalent Th atoms. In the second Br site, Br is bonded in a linear geometry to two equivalent Th 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: 1202293
• Report Number(s): mp-28167
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Th6CoBr15
Br-Co-Th