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Title: Materials Data on HoNiSn2 by Materials Project

Abstract

HoNiSn2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 8-coordinate geometry to six Ni and eight Sn atoms. There are a spread of Ho–Ni bond distances ranging from 3.27–3.50 Å. There are a spread of Ho–Sn bond distances ranging from 3.11–3.19 Å. In the second Ho site, Ho is bonded in a 11-coordinate geometry to two equivalent Ni and nine Sn atoms. Both Ho–Ni bond lengths are 3.05 Å. There are a spread of Ho–Sn bond distances ranging from 3.14–3.51 Å. In the third Ho site, Ho is bonded in a 1-coordinate geometry to four Ni and nine Sn atoms. There are two shorter (3.14 Å) and two longer (3.22 Å) Ho–Ni bond lengths. There are a spread of Ho–Sn bond distances ranging from 3.13–3.58 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to five Ho and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.55–2.75 Å. In the second Ni site, Ni is bonded in a 7-coordinate geometrymore » to three Ho and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.49–2.79 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to four Ho and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.54–2.69 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four Ho, three equivalent Ni, and one Sn atom. The Sn–Sn bond length is 3.01 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Ho and three Ni atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to four Ho and two Ni atoms. In the fourth Sn site, Sn is bonded in a 7-coordinate geometry to four Ho and three Ni atoms. In the fifth Sn site, Sn is bonded in a 8-coordinate geometry to four Ho, three Ni, and one Sn atom. In the sixth Sn site, Sn is bonded in a 2-coordinate geometry to four Ho and one Ni atom.« less

Publication Date:
Other Number(s):
mp-1199966
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; HoNiSn2; Ho-Ni-Sn
OSTI Identifier:
1749678
DOI:
https://doi.org/10.17188/1749678

Citation Formats

The Materials Project. Materials Data on HoNiSn2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749678.
The Materials Project. Materials Data on HoNiSn2 by Materials Project. United States. doi:https://doi.org/10.17188/1749678
The Materials Project. 2020. "Materials Data on HoNiSn2 by Materials Project". United States. doi:https://doi.org/10.17188/1749678. https://www.osti.gov/servlets/purl/1749678. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1749678,
title = {Materials Data on HoNiSn2 by Materials Project},
author = {The Materials Project},
abstractNote = {HoNiSn2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 8-coordinate geometry to six Ni and eight Sn atoms. There are a spread of Ho–Ni bond distances ranging from 3.27–3.50 Å. There are a spread of Ho–Sn bond distances ranging from 3.11–3.19 Å. In the second Ho site, Ho is bonded in a 11-coordinate geometry to two equivalent Ni and nine Sn atoms. Both Ho–Ni bond lengths are 3.05 Å. There are a spread of Ho–Sn bond distances ranging from 3.14–3.51 Å. In the third Ho site, Ho is bonded in a 1-coordinate geometry to four Ni and nine Sn atoms. There are two shorter (3.14 Å) and two longer (3.22 Å) Ho–Ni bond lengths. There are a spread of Ho–Sn bond distances ranging from 3.13–3.58 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to five Ho and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.55–2.75 Å. In the second Ni site, Ni is bonded in a 7-coordinate geometry to three Ho and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.49–2.79 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to four Ho and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.54–2.69 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four Ho, three equivalent Ni, and one Sn atom. The Sn–Sn bond length is 3.01 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Ho and three Ni atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to four Ho and two Ni atoms. In the fourth Sn site, Sn is bonded in a 7-coordinate geometry to four Ho and three Ni atoms. In the fifth Sn site, Sn is bonded in a 8-coordinate geometry to four Ho, three Ni, and one Sn atom. In the sixth Sn site, Sn is bonded in a 2-coordinate geometry to four Ho and one Ni atom.},
doi = {10.17188/1749678},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}