Materials Data on YbIn4Ni by Materials Project

Dataset · Fri Jan 11 04:00:00 EST 2019

DOI:https://doi.org/10.17188/1751836· OSTI ID:1751836

YbNiIn4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 1-coordinate geometry to two equivalent Ni and thirteen In atoms. There are one shorter (3.23 Å) and one longer (3.30 Å) Yb–Ni bond lengths. There are a spread of Yb–In bond distances ranging from 3.26–3.83 Å. In the second Yb site, Yb is bonded in a 7-coordinate geometry to two equivalent Ni and thirteen In atoms. There are one shorter (3.24 Å) and one longer (3.28 Å) Yb–Ni bond lengths. There are a spread of Yb–In bond distances ranging from 3.27–3.85 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Yb and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.60–2.77 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Yb and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.60–2.78 Å. There are eight inequivalent In sites. In the first In site, In is bonded in a 2-coordinate geometry to three Yb, one Ni, and eight In atoms. There are a spread of In–In bond distances ranging from 3.11–3.31 Å. In the second In site, In is bonded in a 12-coordinate geometry to three Yb, three Ni, and six In atoms. There are a spread of In–In bond distances ranging from 2.99–3.17 Å. In the third In site, In is bonded in a 2-coordinate geometry to three Yb, one Ni, and eight In atoms. There are a spread of In–In bond distances ranging from 3.11–3.31 Å. In the fourth In site, In is bonded in a 12-coordinate geometry to three Yb, three Ni, and six In atoms. There are two shorter (3.11 Å) and one longer (3.16 Å) In–In bond lengths. In the fifth In site, In is bonded in a 12-coordinate geometry to three Yb, three Ni, and six In atoms. There are one shorter (3.00 Å) and one longer (3.10 Å) In–In bond lengths. In the sixth In site, In is bonded in a distorted q6 geometry to four Yb and six In atoms. The In–In bond length is 3.09 Å. In the seventh In site, In is bonded in a distorted q6 geometry to four Yb and six In atoms. In the eighth In site, In is bonded in a 12-coordinate geometry to three Yb, three Ni, and six In 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: 1751836
• Report Number(s): mp-1102692
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
In-Ni-Yb
YbIn4Ni
crystal structure