Materials Data on BaMnO4 by Materials Project
BaMnO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to ten O atoms. There are a spread of Ba–O bond distances ranging from 2.75–3.19 Å. Mn is bonded in a tetrahedral geometry to four O atoms. There are a spread of Mn–O bond distances ranging from 1.65–1.67 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Ba and one Mn atom. In the second O site, O is bonded in a distorted single-bond geometry to three equivalent Ba and one Mn atom. In the third O site, O is bonded in a distorted single-bond geometry to three equivalent Ba and one Mn atom.
- 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;
- Other Award/Contract Number:
- EDCBEE
- OSTI ID:
- 1654289
- Report Number(s):
- mp-1214463
- Country of Publication:
- United States
- Language:
- English
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