Materials Data on Na4Ga8Ge15 by Materials Project

Dataset · Thu Apr 30 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1731675· OSTI ID:1731675

Na4Ga8Ge15 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a distorted body-centered cubic geometry to eight equivalent Ga atoms. All Na–Ga bond lengths are 3.43 Å. In the second Na site, Na is bonded in a 8-coordinate geometry to eight equivalent Ge atoms. All Na–Ge bond lengths are 3.62 Å. Ga is bonded in a 3-coordinate geometry to one Na, one Ga, and three equivalent Ge atoms. The Ga–Ga bond length is 2.55 Å. All Ga–Ge bond lengths are 2.53 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a tetrahedral geometry to four equivalent Ge atoms. All Ge–Ge bond lengths are 2.52 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to two equivalent Na, two equivalent Ga, and two Ge atoms. The Ge–Ge bond length is 2.50 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: 1731675
• Report Number(s): mp-1202531
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ga-Ge-Na
Na4Ga8Ge15
crystal structure