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Title: Materials Data on Er3Al2Ni6H7 by Materials Project

Abstract

Er3Ni6Al2H7 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Er is bonded in a 4-coordinate geometry to four equivalent H atoms. All Er–H bond lengths are 2.14 Å. Ni is bonded in a distorted bent 150 degrees geometry to two equivalent Al and two equivalent H atoms. Both Ni–Al bond lengths are 2.51 Å. Both Ni–H bond lengths are 1.70 Å. Al is bonded in a distorted linear geometry to six equivalent Ni and two equivalent H atoms. Both Al–H bond lengths are 2.00 Å. There are two inequivalent H sites. In the first H site, H is bonded to three equivalent Er and one Al atom to form a mixture of edge and corner-sharing HEr3Al tetrahedra. In the second H site, H is bonded to four equivalent Ni atoms to form distorted corner-sharing HNi4 tetrahedra.

Publication Date:
Other Number(s):
mp-1201730
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; Er3Al2Ni6H7; Al-Er-H-Ni
OSTI Identifier:
1685903
DOI:
https://doi.org/10.17188/1685903

Citation Formats

The Materials Project. Materials Data on Er3Al2Ni6H7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685903.
The Materials Project. Materials Data on Er3Al2Ni6H7 by Materials Project. United States. doi:https://doi.org/10.17188/1685903
The Materials Project. 2020. "Materials Data on Er3Al2Ni6H7 by Materials Project". United States. doi:https://doi.org/10.17188/1685903. https://www.osti.gov/servlets/purl/1685903. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1685903,
title = {Materials Data on Er3Al2Ni6H7 by Materials Project},
author = {The Materials Project},
abstractNote = {Er3Ni6Al2H7 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Er is bonded in a 4-coordinate geometry to four equivalent H atoms. All Er–H bond lengths are 2.14 Å. Ni is bonded in a distorted bent 150 degrees geometry to two equivalent Al and two equivalent H atoms. Both Ni–Al bond lengths are 2.51 Å. Both Ni–H bond lengths are 1.70 Å. Al is bonded in a distorted linear geometry to six equivalent Ni and two equivalent H atoms. Both Al–H bond lengths are 2.00 Å. There are two inequivalent H sites. In the first H site, H is bonded to three equivalent Er and one Al atom to form a mixture of edge and corner-sharing HEr3Al tetrahedra. In the second H site, H is bonded to four equivalent Ni atoms to form distorted corner-sharing HNi4 tetrahedra.},
doi = {10.17188/1685903},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}