Materials Data on CeGaAg by Materials Project

Dataset · Wed Jul 18 04:00:00 EDT 2018

DOI:https://doi.org/10.17188/1701068· OSTI ID:1701068

CeAgGa crystallizes in the orthorhombic Pma2 space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to six Ag and six Ga atoms. There are a spread of Ce–Ag bond distances ranging from 3.11–3.48 Å. There are a spread of Ce–Ga bond distances ranging from 3.14–3.36 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to six Ag and six Ga atoms. There are a spread of Ce–Ag bond distances ranging from 3.12–3.48 Å. There are a spread of Ce–Ga bond distances ranging from 3.14–3.37 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 10-coordinate geometry to six Ce, three Ag, and one Ga atom. There are two shorter (2.73 Å) and one longer (2.75 Å) Ag–Ag bond lengths. The Ag–Ga bond length is 2.87 Å. In the second Ag site, Ag is bonded in a 10-coordinate geometry to six Ce, three Ag, and one Ga atom. Both Ag–Ag bond lengths are 2.73 Å. The Ag–Ga bond length is 2.85 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Ce, one Ag, and three Ga atoms. There are one shorter (2.66 Å) and two longer (2.68 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Ce, one Ag, and three Ga atoms. Both Ga–Ga bond lengths are 2.68 Å.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1701068
• Report Number(s): mp-1095574
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ag-Ce-Ga
CeGaAg
crystal structure