Materials Data on Mn3OF8 by Materials Project
Mn3OF8 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Mn+3.33+ sites. In the first Mn+3.33+ site, Mn+3.33+ is bonded to one O2- and five F1- atoms to form corner-sharing MnOF5 octahedra. The corner-sharing octahedra tilt angles range from 27–40°. The Mn–O bond length is 1.81 Å. There are a spread of Mn–F bond distances ranging from 1.85–2.05 Å. In the second Mn+3.33+ site, Mn+3.33+ is bonded to one O2- and five F1- atoms to form corner-sharing MnOF5 octahedra. The corner-sharing octahedra tilt angles range from 26–40°. The Mn–O bond length is 1.81 Å. There are a spread of Mn–F bond distances ranging from 1.85–2.05 Å. In the third Mn+3.33+ site, Mn+3.33+ is bonded to one O2- and five F1- atoms to form corner-sharing MnOF5 octahedra. The corner-sharing octahedra tilt angles range from 30–40°. The Mn–O bond length is 1.86 Å. There are a spread of Mn–F bond distances ranging from 1.93–2.11 Å. In the fourth Mn+3.33+ site, Mn+3.33+ is bonded to one O2- and five F1- atoms to form corner-sharing MnOF5 octahedra. The corner-sharing octahedra tilt angles range from 30–40°. The Mn–O bond length is 1.86 Å. There are a spread of Mn–F bond distances ranging from 1.93–2.10 Å. In the fifth Mn+3.33+ site, Mn+3.33+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 27–34°. There are a spread of Mn–F bond distances ranging from 1.86–2.09 Å. In the sixth Mn+3.33+ site, Mn+3.33+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 26–35°. There are a spread of Mn–F bond distances ranging from 1.86–2.09 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Mn+3.33+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Mn+3.33+ atoms. There are sixteen inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two Mn+3.33+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two Mn+3.33+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two Mn+3.33+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two Mn+3.33+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two Mn+3.33+ atoms. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to two Mn+3.33+ atoms. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two Mn+3.33+ atoms. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to two Mn+3.33+ atoms. In the ninth F1- site, F1- is bonded in a bent 150 degrees geometry to two Mn+3.33+ atoms. In the tenth F1- site, F1- is bonded in a bent 150 degrees geometry to two Mn+3.33+ atoms. In the eleventh F1- site, F1- is bonded in a bent 150 degrees geometry to two Mn+3.33+ atoms. In the twelfth F1- site, F1- is bonded in a bent 150 degrees geometry to two Mn+3.33+ atoms. In the thirteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two Mn+3.33+ atoms. In the fourteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two Mn+3.33+ atoms. In the fifteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two Mn+3.33+ atoms. In the sixteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two Mn+3.33+ atoms.
- 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:
- 1308811
- Report Number(s):
- mp-850899
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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