Materials Data on Dy11(In3Si2)2 by Materials Project

Dataset · Thu Sep 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1757183· OSTI ID:1757183

Dy11Si4In6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Dy sites. In the first Dy site, Dy is bonded in a 7-coordinate geometry to four equivalent In and three Si atoms. There are two shorter (3.37 Å) and two longer (3.43 Å) Dy–In bond lengths. There are a spread of Dy–Si bond distances ranging from 3.07–3.18 Å. In the second Dy site, Dy is bonded in a 5-coordinate geometry to four In and three Si atoms. There are two shorter (3.09 Å) and two longer (3.35 Å) Dy–In bond lengths. All Dy–Si bond lengths are 2.98 Å. In the third Dy site, Dy is bonded in a 7-coordinate geometry to three In and four Si atoms. There are one shorter (3.30 Å) and two longer (3.45 Å) Dy–In bond lengths. There are two shorter (2.82 Å) and two longer (3.31 Å) Dy–Si bond lengths. In the fourth Dy site, Dy is bonded in a 9-coordinate geometry to eight In and one Si atom. There are four shorter (3.34 Å) and four longer (3.44 Å) Dy–In bond lengths. The Dy–Si bond length is 3.49 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to eight Dy and two In atoms. There are one shorter (2.93 Å) and one longer (3.04 Å) In–In bond lengths. In the second In site, In is bonded in a 11-coordinate geometry to seven Dy and four In atoms. Both In–In bond lengths are 2.97 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to eight Dy atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to nine Dy atoms. In the third Si site, Si is bonded in a 8-coordinate geometry to eight Dy 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: 1757183
• Report Number(s): mp-1205037
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Dy-In-Si
Dy11(In3Si2)2
crystal structure