Materials Data on La2Sn4Ir by Materials Project

Dataset · Sat Jan 12 04:00:00 EST 2019

DOI:https://doi.org/10.17188/1727728· OSTI ID:1727728

La2IrSn4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of La–Sn bond distances ranging from 3.28–3.41 Å. In the second La site, La is bonded in a 4-coordinate geometry to four equivalent Ir and ten Sn atoms. All La–Ir bond lengths are 3.67 Å. There are a spread of La–Sn bond distances ranging from 3.50–3.83 Å. Ir is bonded in a 5-coordinate geometry to four equivalent La and five Sn atoms. There are a spread of Ir–Sn bond distances ranging from 2.60–2.66 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to six La, one Ir, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.05 Å. In the second Sn site, Sn is bonded in a 4-coordinate geometry to six La and two equivalent Sn atoms. In the third Sn site, Sn is bonded in a 2-coordinate geometry to four La and two equivalent Ir atoms. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to four La and two equivalent Ir atoms.

• 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: 1727728
• Report Number(s): mp-1223426
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ir-La-Sn
La2Sn4Ir
crystal structure