Materials Data on Zr5GeSb3 by Materials Project
Zr5GeSb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Sb atoms. All Zr–Sb bond lengths are 3.06 Å. In the second Zr site, Zr is bonded to two equivalent Ge and five equivalent Sb atoms to form a mixture of distorted edge, corner, and face-sharing ZrGe2Sb5 pentagonal bipyramids. Both Zr–Ge bond lengths are 2.74 Å. There are a spread of Zr–Sb bond distances ranging from 2.97–3.15 Å. Ge is bonded to six equivalent Zr atoms to form face-sharing GeZr6 octahedra. Sb is bonded in a 9-coordinate geometry to nine Zr atoms.
- 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:
- 1717591
- Report Number(s):
- mp-1189075
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Zr5Sb3Ru by Materials Project
Materials Data on Zr5CuSb3 by Materials Project
Materials Data on Zr5ZnSb3 by Materials Project
Dataset
·
Sat May 02 00:00:00 EDT 2020
·
OSTI ID:1739809
Materials Data on Zr5CuSb3 by Materials Project
Dataset
·
Sun May 03 00:00:00 EDT 2020
·
OSTI ID:1748381
Materials Data on Zr5ZnSb3 by Materials Project
Dataset
·
Wed Jul 15 00:00:00 EDT 2020
·
OSTI ID:1187414