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Title: Materials Data on HoGa3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1276018· OSTI ID:1276018

HoGa3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to twelve Ga atoms to form a mixture of face and corner-sharing HoGa12 cuboctahedra. There are six shorter (2.98 Å) and six longer (3.09 Å) Ho–Ga bond lengths. In the second Ho site, Ho is bonded to twelve Ga atoms to form a mixture of face and corner-sharing HoGa12 cuboctahedra. There are a spread of Ho–Ga bond distances ranging from 3.01–3.08 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four Ho and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.92–3.08 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to four Ho and six Ga atoms. Both Ga–Ga bond lengths are 2.71 Å.

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:
1276018
Report Number(s):
mp-570953
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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