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Title: Materials Data on HoIn7Cu5 by Materials Project

Abstract

HoCu5In7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to ten Cu and ten In atoms. There are a spread of Ho–Cu bond distances ranging from 3.54–3.66 Å. There are a spread of Ho–In bond distances ranging from 3.14–3.55 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Ho, three Cu, and seven In atoms. There are a spread of Cu–Cu bond distances ranging from 2.71–2.86 Å. There are a spread of Cu–In bond distances ranging from 2.70–2.97 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Ho, four equivalent Cu, and six In atoms. There are a spread of Cu–In bond distances ranging from 2.75–2.98 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to one Ho, four equivalent Cu, and five In atoms. There are a spread of In–In bond distances ranging from 3.01–3.17 Å. In the second In site, In is bonded in a 8-coordinate geometry to one Ho, six Cu, and three In atoms. Both In–Inmore » bond lengths are 3.32 Å. In the third In site, In is bonded in a 10-coordinate geometry to one Ho, five Cu, and four In atoms. There are a spread of In–In bond distances ranging from 3.04–3.12 Å. In the fourth In site, In is bonded to two equivalent Ho, four equivalent Cu, and six In atoms to form distorted edge-sharing InHo2In6Cu4 cuboctahedra. Both In–In bond lengths are 2.93 Å. In the fifth In site, In is bonded in a 12-coordinate geometry to two equivalent Ho, five Cu, and five In atoms.« less

Publication Date:
Other Number(s):
mp-1224226
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; HoIn7Cu5; Cu-Ho-In
OSTI Identifier:
1749218
DOI:
https://doi.org/10.17188/1749218

Citation Formats

The Materials Project. Materials Data on HoIn7Cu5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749218.
The Materials Project. Materials Data on HoIn7Cu5 by Materials Project. United States. doi:https://doi.org/10.17188/1749218
The Materials Project. 2020. "Materials Data on HoIn7Cu5 by Materials Project". United States. doi:https://doi.org/10.17188/1749218. https://www.osti.gov/servlets/purl/1749218. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1749218,
title = {Materials Data on HoIn7Cu5 by Materials Project},
author = {The Materials Project},
abstractNote = {HoCu5In7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to ten Cu and ten In atoms. There are a spread of Ho–Cu bond distances ranging from 3.54–3.66 Å. There are a spread of Ho–In bond distances ranging from 3.14–3.55 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Ho, three Cu, and seven In atoms. There are a spread of Cu–Cu bond distances ranging from 2.71–2.86 Å. There are a spread of Cu–In bond distances ranging from 2.70–2.97 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Ho, four equivalent Cu, and six In atoms. There are a spread of Cu–In bond distances ranging from 2.75–2.98 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to one Ho, four equivalent Cu, and five In atoms. There are a spread of In–In bond distances ranging from 3.01–3.17 Å. In the second In site, In is bonded in a 8-coordinate geometry to one Ho, six Cu, and three In atoms. Both In–In bond lengths are 3.32 Å. In the third In site, In is bonded in a 10-coordinate geometry to one Ho, five Cu, and four In atoms. There are a spread of In–In bond distances ranging from 3.04–3.12 Å. In the fourth In site, In is bonded to two equivalent Ho, four equivalent Cu, and six In atoms to form distorted edge-sharing InHo2In6Cu4 cuboctahedra. Both In–In bond lengths are 2.93 Å. In the fifth In site, In is bonded in a 12-coordinate geometry to two equivalent Ho, five Cu, and five In atoms.},
doi = {10.17188/1749218},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}