Materials Data on TiGa2 by Materials Project

Dataset · Thu Jul 16 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1276211· OSTI ID:1276211

The Materials Project

TiGa2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to ten Ga atoms. There are a spread of Ti–Ga bond distances ranging from 2.70–2.87 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Ti and six Ga atoms to form a mixture of distorted edge, face, and corner-sharing GaTi6Ga6 cuboctahedra. There are a spread of Ga–Ga bond distances ranging from 2.66–2.93 Å. In the second Ga site, Ga is bonded to four equivalent Ti and eight Ga atoms to form a mixture of distorted edge, face, and corner-sharing GaTi4Ga8 cuboctahedra. All Ga–Ga bond lengths are 2.78 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: 1276211
• Report Number(s): mp-571342
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
TiGa2
Ga-Ti