Materials Data on KTi2F7 by Materials Project
KTi2F7 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are eight shorter (2.79 Å) and two longer (3.16 Å) K–F bond lengths. Ti3+ is bonded to seven F1- atoms to form a mixture of corner and edge-sharing TiF7 pentagonal bipyramids. There are a spread of Ti–F bond distances ranging from 2.00–2.09 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent Ti3+ atoms. In the second F1- site, F1- is bonded in a linear geometry to one K1+ and two equivalent Ti3+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Ti3+ 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:
- 1315076
- Report Number(s):
- mp-976271
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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