Materials Data on LaRe2W by Materials Project

Dataset · Sat Jul 18 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1279084· OSTI ID:1279084

LaWRe2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. La is bonded in a distorted body-centered cubic geometry to four equivalent W and ten Re atoms. All La–W bond lengths are 2.86 Å. There are four shorter (2.86 Å) and six longer (3.30 Å) La–Re bond lengths. W is bonded in a distorted body-centered cubic geometry to four equivalent La and four equivalent Re atoms. All W–Re bond lengths are 2.86 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent La, four equivalent W, and four equivalent Re atoms to form a mixture of distorted face and corner-sharing ReLa6Re4W4 tetrahedra. All Re–Re bond lengths are 2.86 Å. In the second Re site, Re is bonded to four equivalent La and four equivalent Re atoms to form distorted ReLa4Re4 tetrahedra that share corners with twelve equivalent ReLa6Re4W4 tetrahedra, edges with twelve equivalent ReLa4Re4 tetrahedra, and faces with four equivalent ReLa6Re4W4 tetrahedra.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1279084
• Report Number(s): mp-631343
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
La-Re-W
LaRe2W
crystal structure