Materials Data on Ba(ZnAs)2 by Materials Project
BaZn2As2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Ba–As bond lengths are 3.48 Å. Zn2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing ZnAs4 tetrahedra. All Zn–As bond lengths are 2.60 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Zn2+ 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:
- 1275577
- Report Number(s):
- mp-570198
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Ba2Zn3(AsO)2 by Materials Project
Materials Data on Ba(ZnP)2 by Materials Project
Materials Data on Ba(ZnAs)2 by Materials Project
Dataset
·
Thu Jul 16 00:00:00 EDT 2020
·
OSTI ID:1190884
Materials Data on Ba(ZnP)2 by Materials Project
Dataset
·
Thu Jul 16 00:00:00 EDT 2020
·
OSTI ID:1287964
Materials Data on Ba(ZnAs)2 by Materials Project
Dataset
·
Tue Jul 14 00:00:00 EDT 2020
·
OSTI ID:1287965