Materials Data on MgCr2F12 by Materials Project
MgCr2F12 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one MgCr2F12 sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded in a 2-coordinate geometry to six F1- atoms. There are a spread of Mg–F bond distances ranging from 1.65–2.50 Å. Cr5+ is bonded in a 4-coordinate geometry to six F1- atoms. There are a spread of Cr–F bond distances ranging from 1.41–2.45 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Cr5+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Mg2+ and one Cr5+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Cr5+ atom. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to one Mg2+ and one Cr5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Cr5+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Mg2+ and one Cr5+ atom.
- 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:
- 1318400
- Report Number(s):
- mvc-12009
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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