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Title: Materials Data on Ho10In20Ni9 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1205088· OSTI ID:1205088

Ho10Ni9In20 is beta Plutonium-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to four equivalent Ni and eight In atoms. All Ho–Ni bond lengths are 3.01 Å. There are four shorter (3.25 Å) and four longer (3.34 Å) Ho–In bond lengths. In the second Ho site, Ho is bonded in a 12-coordinate geometry to four equivalent Ni and eight In atoms. All Ho–Ni bond lengths are 2.99 Å. There are four shorter (3.25 Å) and four longer (3.36 Å) Ho–In bond lengths. In the third Ho site, Ho is bonded in a 2-coordinate geometry to three Ni and nine In atoms. There are two shorter (2.89 Å) and one longer (3.38 Å) Ho–Ni bond lengths. There are a spread of Ho–In bond distances ranging from 3.09–3.37 Å. In the fourth Ho site, Ho is bonded in a 11-coordinate geometry to three Ni and eight In atoms. There are two shorter (3.02 Å) and one longer (3.07 Å) Ho–Ni bond lengths. There are a spread of Ho–In bond distances ranging from 3.17–3.38 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to four Ho and five In atoms. There are a spread of Ni–In bond distances ranging from 2.71–2.84 Å. In the second Ni site, Ni is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (2.65 Å) and four longer (2.94 Å) Ni–In bond lengths. In the third Ni site, Ni is bonded in a 10-coordinate geometry to four Ho and six In atoms. There are a spread of Ni–In bond distances ranging from 2.69–2.99 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 2-coordinate geometry to five Ho, three Ni, and five In atoms. There are a spread of In–In bond distances ranging from 3.15–3.28 Å. In the second In site, In is bonded in a 2-coordinate geometry to two equivalent Ho, two Ni, and one In atom. In the third In site, In is bonded in a 11-coordinate geometry to four Ho, three Ni, and two equivalent In atoms. In the fourth In site, In is bonded in a 9-coordinate geometry to six Ho and three Ni atoms. In the fifth In site, In is bonded in a 6-coordinate geometry to four Ho and two equivalent Ni 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:
1205088
Report Number(s):
mp-30729
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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