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Title: Materials Data on Ti4Ga3Ni2 by Materials Project

Abstract

Ti4Ni2Ga3 is gamma-brass-derived structured and crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a 11-coordinate geometry to three Ti, four equivalent Ni, and six equivalent Ga atoms. There are one shorter (2.69 Å) and two longer (2.82 Å) Ti–Ti bond lengths. All Ti–Ni bond lengths are 2.72 Å. There are two shorter (2.73 Å) and four longer (2.88 Å) Ti–Ga bond lengths. In the second Ti site, Ti is bonded in a 11-coordinate geometry to three Ti, four equivalent Ni, and six equivalent Ga atoms. The Ti–Ti bond length is 2.69 Å. All Ti–Ni bond lengths are 2.72 Å. There are two shorter (2.73 Å) and four longer (2.88 Å) Ti–Ga bond lengths. In the third Ti site, Ti is bonded in a 11-coordinate geometry to five Ti and six equivalent Ga atoms. Both Ti–Ti bond lengths are 2.82 Å. All Ti–Ga bond lengths are 2.70 Å. Ni is bonded in a 11-coordinate geometry to six Ti, two equivalent Ni, and three equivalent Ga atoms. There are one shorter (2.81 Å) and one longer (2.83 Å) Ni–Ni bond lengths. All Ni–Ga bondmore » lengths are 2.52 Å. Ga is bonded to eight Ti, two equivalent Ni, and two equivalent Ga atoms to form a mixture of distorted edge, face, and corner-sharing GaTi8Ga2Ni2 cuboctahedra. Both Ga–Ga bond lengths are 2.82 Å.« less

Publication Date:
Other Number(s):
mp-30705
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; Ti4Ga3Ni2; Ga-Ni-Ti
OSTI Identifier:
1205065
DOI:
https://doi.org/10.17188/1205065

Citation Formats

The Materials Project. Materials Data on Ti4Ga3Ni2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205065.
The Materials Project. Materials Data on Ti4Ga3Ni2 by Materials Project. United States. doi:https://doi.org/10.17188/1205065
The Materials Project. 2020. "Materials Data on Ti4Ga3Ni2 by Materials Project". United States. doi:https://doi.org/10.17188/1205065. https://www.osti.gov/servlets/purl/1205065. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1205065,
title = {Materials Data on Ti4Ga3Ni2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti4Ni2Ga3 is gamma-brass-derived structured and crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a 11-coordinate geometry to three Ti, four equivalent Ni, and six equivalent Ga atoms. There are one shorter (2.69 Å) and two longer (2.82 Å) Ti–Ti bond lengths. All Ti–Ni bond lengths are 2.72 Å. There are two shorter (2.73 Å) and four longer (2.88 Å) Ti–Ga bond lengths. In the second Ti site, Ti is bonded in a 11-coordinate geometry to three Ti, four equivalent Ni, and six equivalent Ga atoms. The Ti–Ti bond length is 2.69 Å. All Ti–Ni bond lengths are 2.72 Å. There are two shorter (2.73 Å) and four longer (2.88 Å) Ti–Ga bond lengths. In the third Ti site, Ti is bonded in a 11-coordinate geometry to five Ti and six equivalent Ga atoms. Both Ti–Ti bond lengths are 2.82 Å. All Ti–Ga bond lengths are 2.70 Å. Ni is bonded in a 11-coordinate geometry to six Ti, two equivalent Ni, and three equivalent Ga atoms. There are one shorter (2.81 Å) and one longer (2.83 Å) Ni–Ni bond lengths. All Ni–Ga bond lengths are 2.52 Å. Ga is bonded to eight Ti, two equivalent Ni, and two equivalent Ga atoms to form a mixture of distorted edge, face, and corner-sharing GaTi8Ga2Ni2 cuboctahedra. Both Ga–Ga bond lengths are 2.82 Å.},
doi = {10.17188/1205065},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}