Materials Data on Ba2Mn2Sb2O by Materials Project
Ba2Mn2Sb2O crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to six equivalent Sb3- atoms to form edge-sharing BaSb6 octahedra. All Ba–Sb bond lengths are 3.58 Å. In the second Ba2+ site, Ba2+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Ba–O bond lengths are 2.77 Å. Mn2+ is bonded in a distorted single-bond geometry to three equivalent Sb3- and one O2- atom. All Mn–Sb bond lengths are 2.88 Å. The Mn–O bond length is 2.06 Å. Sb3- is bonded in a 6-coordinate geometry to three equivalent Ba2+ and three equivalent Mn2+ atoms. O2- is bonded to three equivalent Ba2+ and two equivalent Mn2+ atoms to form corner-sharing OBa3Mn2 trigonal bipyramids.
- 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:
- 1194076
- Report Number(s):
- mp-19213
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Ba5(In2Sb3)2 by Materials Project
Materials Data on BaLiSb by Materials Project