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Title: Materials Data on Ho4Ga21Ni10 by Materials Project

Abstract

Ho4Ni10Ga21 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded in a 7-coordinate geometry to four Ni and nine Ga atoms. There are two shorter (3.13 Å) and two longer (3.15 Å) Ho–Ni bond lengths. There are a spread of Ho–Ga bond distances ranging from 2.88–3.21 Å. In the second Ho site, Ho is bonded in a 2-coordinate geometry to four Ni and eleven Ga atoms. There are a spread of Ho–Ni bond distances ranging from 2.98–3.14 Å. There are a spread of Ho–Ga bond distances ranging from 2.86–3.40 Å. In the third Ho site, Ho is bonded in a 2-coordinate geometry to four Ni and eleven Ga atoms. There are a spread of Ho–Ni bond distances ranging from 2.98–3.15 Å. There are a spread of Ho–Ga bond distances ranging from 2.86–3.41 Å. In the fourth Ho site, Ho is bonded in a 7-coordinate geometry to four Ni and nine Ga atoms. There are a spread of Ho–Ni bond distances ranging from 3.11–3.15 Å. There are a spread of Ho–Ga bond distances ranging from 2.89–3.20 Å. There are ten inequivalent Ni sites. In themore » first Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Ho, one Ni, and seven Ga atoms. The Ni–Ni bond length is 2.72 Å. There are a spread of Ni–Ga bond distances ranging from 2.38–2.57 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.47–2.61 Å. In the third Ni site, Ni is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.47–2.60 Å. In the fourth Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Ho, one Ni, and seven Ga atoms. The Ni–Ni bond length is 2.74 Å. There are a spread of Ni–Ga bond distances ranging from 2.47–2.56 Å. In the fifth Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Ho and eight Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.46–2.70 Å. In the sixth Ni site, Ni is bonded in a 7-coordinate geometry to two equivalent Ho and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.36–2.62 Å. In the seventh Ni site, Ni is bonded in a 7-coordinate geometry to two equivalent Ho and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.36–2.62 Å. In the eighth Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Ho and eight Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.47–2.71 Å. In the ninth Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Ho, one Ni, and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.47–2.55 Å. In the tenth Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Ho, one Ni, and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.39–2.57 Å. There are twenty-one inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to one Ho, three Ni, and two equivalent Ga atoms. There are one shorter (2.91 Å) and one longer (2.92 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 11-coordinate geometry to one Ho, four Ni, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.70–2.89 Å. In the third Ga site, Ga is bonded in a 5-coordinate geometry to two equivalent Ho, three Ni, and one Ga atom. The Ga–Ga bond length is 2.66 Å. In the fourth Ga site, Ga is bonded in a 12-coordinate geometry to three Ho, three Ni, and one Ga atom. The Ga–Ga bond length is 2.68 Å. In the fifth Ga site, Ga is bonded in a 12-coordinate geometry to three Ho, four Ni, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.82–2.93 Å. In the sixth Ga site, Ga is bonded in a 12-coordinate geometry to three Ho, four Ni, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.82–2.93 Å. In the seventh Ga site, Ga is bonded in a 5-coordinate geometry to two equivalent Ho, three Ni, and two Ga atoms. There are one shorter (2.66 Å) and one longer (2.87 Å) Ga–Ga bond lengths. In the eighth Ga site, Ga is bonded in a 10-coordinate geometry to one Ho, four Ni, and five Ga atoms. There are one shorter (2.73 Å) and one longer (2.74 Å) Ga–Ga bond lengths. In the ninth Ga site, Ga is bonded in a 12-coordinate geometry to three Ho, four Ni, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.81–2.94 Å. In the tenth Ga site, Ga is bonded in a 10-coordinate geometry to three Ho, three Ni, and four Ga atoms. In the eleventh Ga site, Ga is bonded in a 11-coordinate geometry to one Ho, four Ni, and six Ga atoms. The Ga–Ga bond length is 2.89 Å. In the twelfth Ga site, Ga is bonded in a 5-coordinate geometry to one Ho, five Ni, and two Ga atoms. In the thirteenth Ga site, Ga is bonded in a 12-coordinate geometry to three Ho, four Ni, and five Ga atoms. There are one shorter (2.81 Å) and two longer (2.87 Å) Ga–Ga bond lengths. In the fourteenth Ga site, Ga is bonded in a 5-coordinate geometry to one Ho, five Ni, and two Ga atoms. In the fifteenth Ga site, Ga is bonded in a 12-coordinate geometry to four Ni and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.57–2.93 Å. In the sixteenth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Ho, three Ni, and one Ga atom. In the seventeenth Ga site, Ga is bonded in a 1-coordinate geometry to one Ho, three Ni, and two equivalent Ga atoms. In the eighteenth Ga site, Ga is bonded in a 12-coordinate geometry to three Ho and three Ni atoms. In the nineteenth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Ho, three Ni, and one Ga atom. In the twentieth Ga site, Ga is bonded in a 10-coordinate geometry to one Ho, four Ni, and five Ga atoms. In the twenty-first Ga site, Ga is bonded in a 10-coordinate geometry to three Ho, three Ni, and two equivalent Ga atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-581730
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; Ho4Ga21Ni10; Ga-Ho-Ni
OSTI Identifier:
1276881
DOI:
https://doi.org/10.17188/1276881

Citation Formats

The Materials Project. Materials Data on Ho4Ga21Ni10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276881.
The Materials Project. Materials Data on Ho4Ga21Ni10 by Materials Project. United States. doi:https://doi.org/10.17188/1276881
The Materials Project. 2020. "Materials Data on Ho4Ga21Ni10 by Materials Project". United States. doi:https://doi.org/10.17188/1276881. https://www.osti.gov/servlets/purl/1276881. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1276881,
title = {Materials Data on Ho4Ga21Ni10 by Materials Project},
author = {The Materials Project},
abstractNote = {Ho4Ni10Ga21 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded in a 7-coordinate geometry to four Ni and nine Ga atoms. There are two shorter (3.13 Å) and two longer (3.15 Å) Ho–Ni bond lengths. There are a spread of Ho–Ga bond distances ranging from 2.88–3.21 Å. In the second Ho site, Ho is bonded in a 2-coordinate geometry to four Ni and eleven Ga atoms. There are a spread of Ho–Ni bond distances ranging from 2.98–3.14 Å. There are a spread of Ho–Ga bond distances ranging from 2.86–3.40 Å. In the third Ho site, Ho is bonded in a 2-coordinate geometry to four Ni and eleven Ga atoms. There are a spread of Ho–Ni bond distances ranging from 2.98–3.15 Å. There are a spread of Ho–Ga bond distances ranging from 2.86–3.41 Å. In the fourth Ho site, Ho is bonded in a 7-coordinate geometry to four Ni and nine Ga atoms. There are a spread of Ho–Ni bond distances ranging from 3.11–3.15 Å. There are a spread of Ho–Ga bond distances ranging from 2.89–3.20 Å. There are ten inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Ho, one Ni, and seven Ga atoms. The Ni–Ni bond length is 2.72 Å. There are a spread of Ni–Ga bond distances ranging from 2.38–2.57 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.47–2.61 Å. In the third Ni site, Ni is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.47–2.60 Å. In the fourth Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Ho, one Ni, and seven Ga atoms. The Ni–Ni bond length is 2.74 Å. There are a spread of Ni–Ga bond distances ranging from 2.47–2.56 Å. In the fifth Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Ho and eight Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.46–2.70 Å. In the sixth Ni site, Ni is bonded in a 7-coordinate geometry to two equivalent Ho and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.36–2.62 Å. In the seventh Ni site, Ni is bonded in a 7-coordinate geometry to two equivalent Ho and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.36–2.62 Å. In the eighth Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Ho and eight Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.47–2.71 Å. In the ninth Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Ho, one Ni, and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.47–2.55 Å. In the tenth Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Ho, one Ni, and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.39–2.57 Å. There are twenty-one inequivalent Ga sites. In the first Ga site, Ga is bonded in a 1-coordinate geometry to one Ho, three Ni, and two equivalent Ga atoms. There are one shorter (2.91 Å) and one longer (2.92 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 11-coordinate geometry to one Ho, four Ni, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.70–2.89 Å. In the third Ga site, Ga is bonded in a 5-coordinate geometry to two equivalent Ho, three Ni, and one Ga atom. The Ga–Ga bond length is 2.66 Å. In the fourth Ga site, Ga is bonded in a 12-coordinate geometry to three Ho, three Ni, and one Ga atom. The Ga–Ga bond length is 2.68 Å. In the fifth Ga site, Ga is bonded in a 12-coordinate geometry to three Ho, four Ni, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.82–2.93 Å. In the sixth Ga site, Ga is bonded in a 12-coordinate geometry to three Ho, four Ni, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.82–2.93 Å. In the seventh Ga site, Ga is bonded in a 5-coordinate geometry to two equivalent Ho, three Ni, and two Ga atoms. There are one shorter (2.66 Å) and one longer (2.87 Å) Ga–Ga bond lengths. In the eighth Ga site, Ga is bonded in a 10-coordinate geometry to one Ho, four Ni, and five Ga atoms. There are one shorter (2.73 Å) and one longer (2.74 Å) Ga–Ga bond lengths. In the ninth Ga site, Ga is bonded in a 12-coordinate geometry to three Ho, four Ni, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.81–2.94 Å. In the tenth Ga site, Ga is bonded in a 10-coordinate geometry to three Ho, three Ni, and four Ga atoms. In the eleventh Ga site, Ga is bonded in a 11-coordinate geometry to one Ho, four Ni, and six Ga atoms. The Ga–Ga bond length is 2.89 Å. In the twelfth Ga site, Ga is bonded in a 5-coordinate geometry to one Ho, five Ni, and two Ga atoms. In the thirteenth Ga site, Ga is bonded in a 12-coordinate geometry to three Ho, four Ni, and five Ga atoms. There are one shorter (2.81 Å) and two longer (2.87 Å) Ga–Ga bond lengths. In the fourteenth Ga site, Ga is bonded in a 5-coordinate geometry to one Ho, five Ni, and two Ga atoms. In the fifteenth Ga site, Ga is bonded in a 12-coordinate geometry to four Ni and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.57–2.93 Å. In the sixteenth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Ho, three Ni, and one Ga atom. In the seventeenth Ga site, Ga is bonded in a 1-coordinate geometry to one Ho, three Ni, and two equivalent Ga atoms. In the eighteenth Ga site, Ga is bonded in a 12-coordinate geometry to three Ho and three Ni atoms. In the nineteenth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Ho, three Ni, and one Ga atom. In the twentieth Ga site, Ga is bonded in a 10-coordinate geometry to one Ho, four Ni, and five Ga atoms. In the twenty-first Ga site, Ga is bonded in a 10-coordinate geometry to three Ho, three Ni, and two equivalent Ga atoms.},
doi = {10.17188/1276881},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}