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Title: Materials Data on Ho7Cu5Sb by Materials Project

Abstract

Cu5Ho7Sb crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are seven inequivalent Ho sites. In the first Ho site, Ho is bonded in a 4-coordinate geometry to four equivalent Ho and four equivalent Cu atoms. All Ho–Ho bond lengths are 3.25 Å. All Ho–Cu bond lengths are 2.75 Å. In the second Ho site, Ho is bonded in a 10-coordinate geometry to four equivalent Ho and five Cu atoms. All Ho–Ho bond lengths are 3.16 Å. There are four shorter (2.73 Å) and one longer (2.94 Å) Ho–Cu bond lengths. In the third Ho site, Ho is bonded in a single-bond geometry to four equivalent Ho and one Cu atom. All Ho–Ho bond lengths are 3.73 Å. The Ho–Cu bond length is 2.70 Å. In the fourth Ho site, Ho is bonded in a 8-coordinate geometry to four equivalent Cu and four equivalent Sb atoms. All Ho–Cu bond lengths are 3.13 Å. All Ho–Sb bond lengths are 3.12 Å. In the fifth Ho site, Ho is bonded in a 12-coordinate geometry to eight Ho and four equivalent Cu atoms. All Ho–Cu bond lengths are 3.53 Å. In the sixth Ho site, Ho is bonded in amore » 1-coordinate geometry to four equivalent Ho, four equivalent Cu, and one Sb atom. All Ho–Cu bond lengths are 3.27 Å. The Ho–Sb bond length is 3.22 Å. In the seventh Ho site, Ho is bonded in a 8-coordinate geometry to eight Cu atoms. There are four shorter (2.93 Å) and four longer (3.14 Å) Ho–Cu bond lengths. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to six Ho and two equivalent Cu atoms. Both Cu–Cu bond lengths are 2.51 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to six Ho, four equivalent Cu, and two equivalent Sb atoms. All Cu–Cu bond lengths are 3.06 Å. Both Cu–Sb bond lengths are 2.72 Å. In the third Cu site, Cu is bonded in a distorted single-bond geometry to six Ho and four equivalent Cu atoms. Sb is bonded in a 9-coordinate geometry to five Ho and four equivalent Cu atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1224673
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ho7Cu5Sb; Cu-Ho-Sb
OSTI Identifier:
1679390
DOI:
https://doi.org/10.17188/1679390

Citation Formats

The Materials Project. Materials Data on Ho7Cu5Sb by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1679390.
The Materials Project. Materials Data on Ho7Cu5Sb by Materials Project. United States. doi:https://doi.org/10.17188/1679390
The Materials Project. 2019. "Materials Data on Ho7Cu5Sb by Materials Project". United States. doi:https://doi.org/10.17188/1679390. https://www.osti.gov/servlets/purl/1679390. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1679390,
title = {Materials Data on Ho7Cu5Sb by Materials Project},
author = {The Materials Project},
abstractNote = {Cu5Ho7Sb crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are seven inequivalent Ho sites. In the first Ho site, Ho is bonded in a 4-coordinate geometry to four equivalent Ho and four equivalent Cu atoms. All Ho–Ho bond lengths are 3.25 Å. All Ho–Cu bond lengths are 2.75 Å. In the second Ho site, Ho is bonded in a 10-coordinate geometry to four equivalent Ho and five Cu atoms. All Ho–Ho bond lengths are 3.16 Å. There are four shorter (2.73 Å) and one longer (2.94 Å) Ho–Cu bond lengths. In the third Ho site, Ho is bonded in a single-bond geometry to four equivalent Ho and one Cu atom. All Ho–Ho bond lengths are 3.73 Å. The Ho–Cu bond length is 2.70 Å. In the fourth Ho site, Ho is bonded in a 8-coordinate geometry to four equivalent Cu and four equivalent Sb atoms. All Ho–Cu bond lengths are 3.13 Å. All Ho–Sb bond lengths are 3.12 Å. In the fifth Ho site, Ho is bonded in a 12-coordinate geometry to eight Ho and four equivalent Cu atoms. All Ho–Cu bond lengths are 3.53 Å. In the sixth Ho site, Ho is bonded in a 1-coordinate geometry to four equivalent Ho, four equivalent Cu, and one Sb atom. All Ho–Cu bond lengths are 3.27 Å. The Ho–Sb bond length is 3.22 Å. In the seventh Ho site, Ho is bonded in a 8-coordinate geometry to eight Cu atoms. There are four shorter (2.93 Å) and four longer (3.14 Å) Ho–Cu bond lengths. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to six Ho and two equivalent Cu atoms. Both Cu–Cu bond lengths are 2.51 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to six Ho, four equivalent Cu, and two equivalent Sb atoms. All Cu–Cu bond lengths are 3.06 Å. Both Cu–Sb bond lengths are 2.72 Å. In the third Cu site, Cu is bonded in a distorted single-bond geometry to six Ho and four equivalent Cu atoms. Sb is bonded in a 9-coordinate geometry to five Ho and four equivalent Cu atoms.},
doi = {10.17188/1679390},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}