Materials Data on YGa6 by Materials Project

Dataset · Tue Jul 14 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1205050· OSTI ID:1205050

The Materials Project

YGa6 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Y is bonded to twelve Ga atoms to form a mixture of edge and face-sharing YGa12 cuboctahedra. There are four shorter (3.08 Å) and eight longer (3.23 Å) Y–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent Y and five Ga atoms. There are one shorter (2.44 Å) and four longer (2.62 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 4-coordinate geometry to one Y and three Ga atoms. The Ga–Ga bond length is 2.56 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: 1205050
• Report Number(s): mp-30681
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
YGa6
Ga-Y